N-[(2S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide

Systemtic Name: N-[(2S)-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]furan-2-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]furan-2-carboxamide CAS Name: N-[(2S)-1-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxo-3-phenylpropan-2-yl]-2-furancarboxamide IUPAC Name: N-[(2S)-1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-keto-2-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]ethyl]-2-furamide Formula: C26H31N4O3+ MolecularWeight: 447.54934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

CC1=C(C=CC(=C1)N2CC[NH+](CC2)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H30N4O3/c1-19-17-21(30-14-12-29(2)13-15-30)10-11-22(19)27-25(31)23(18-20-7-4-3-5-8-20)28-26(32)24-9-6-16-33-24/h3-11,16-17,23H,12-15,18H2,1-2H3,(H,27,31)(H,28,32)/p+1/t23-/m0/s1