N-[5-[bis(azanyl)methylideneamino]-1-[[4-[(1-methyl-2-phenyl-indolizin-4-ium-3-ylidene)amino]phenyl]amino]-1-oxidanylidene-pentan-2-yl]benzamide; hydrogen sulfate

Systemtic Name: N-[5-[bis(azanyl)methylideneamino]-1-[[4-[(1-methyl-2-phenyl-indolizin-4-ium-3-ylidene)amino]phenyl]amino]-1-oxidanylidene-pentan-2-yl]benzamide; hydrogen sulfate Openeye Name: N-[4-guanidino-1-[[4-[(1-methyl-2-phenyl-indolizin-4-ium-3-ylidene)amino]phenyl]carbamoyl]butyl]benzamide; hydrogen sulfate CAS Name: N-[5-(diaminomethylideneamino)-1-[4-[(1-methyl-2-phenyl-3-indolizin-4-iumylidene)amino]anilino]-1-oxopentan-2-yl]benzamide; hydrogen sulfate IUPAC Name: N-[5-(diaminomethylideneamino)-1-[4-[(1-methyl-2-phenylindolizin-4-ium-3-ylidene)amino]anilino]-1-oxopentan-2-yl]benzamide; hydrogen sulfate Traditional Name: N-[4-guanidino-1-[[4-[(1-methyl-2-phenyl-indolizin-4-ium-3-ylidene)amino]phenyl]carbamoyl]butyl]benzamide bisulfate Formula: C34H35N7O6S MolecularWeight: 669.75

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=C(C=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C3=CC=CC=C3)[N+]4=CC=CC=C14)C5=CC=CC=C5.OS(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C(=NC2=CC=C(C=C2)NC(=O)C(CCCN=C(N)N)NC(=O)C3=CC=CC=C3)[N+]4=CC=CC=C14)C5=CC=CC=C5.OS(=O)(=O)[O-]

InChI

InChI=1S/C34H33N7O2.H2O4S/c1-23-29-16-8-9-22-41(29)31(30(23)24-11-4-2-5-12-24)38-26-17-19-27(20-18-26)39-33(43)28(15-10-21-37-34(35)36)40-32(42)25-13-6-3-7-14-25;1-5(2,3)4/h2-9,11-14,16-20,22,28H,10,15,21H2,1H3,(H5,35,36,37,40,42);(H2,1,2,3,4)