N-[2-methyl-5-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]phenyl]furan-2-carboxamide

Systemtic Name: N-[2-methyl-5-[[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]carbamoyl]phenyl]furan-2-carboxamide Openeye Name: N-[5-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]furan-2-carboxamide CAS Name: N-[2-methyl-5-[oxo-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]anilino]methyl]phenyl]-2-furancarboxamide IUPAC Name: N-[5-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2-methylphenyl]furan-2-carboxamide Traditional Name: N-[5-[[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]carbamoyl]-2-methyl-phenyl]-2-furamide Formula: C30H31N4O3+ MolecularWeight: 495.59214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CO5

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CO5

InChI

InChI=1S/C30H30N4O3/c1-22-9-10-24(20-27(22)32-30(36)28-8-5-19-37-28)29(35)31-25-11-13-26(14-12-25)34-17-15-33(16-18-34)21-23-6-3-2-4-7-23/h2-14,19-20H,15-18,21H2,1H3,(H,31,35)(H,32,36)/p+1