N-[(2S,3S)-3-methyl-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-3-methyl-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-1-oxidanylidene-pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-methyl-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]butyl]benzamide CAS Name: N-[(2S,3S)-3-methyl-1-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-1-oxopentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-3-methyl-1-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-oxopentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-2-methyl-1-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]carbamoyl]butyl]benzamide Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=C(C=C(C=C1)N2CC[NH+](CC2)C)C)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NC1=C(C=C(C=C1)N2CC[NH+](CC2)C)C)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2/c1-5-18(2)23(27-24(30)20-9-7-6-8-10-20)25(31)26-22-12-11-21(17-19(22)3)29-15-13-28(4)14-16-29/h6-12,17-18,23H,5,13-16H2,1-4H3,(H,26,31)(H,27,30)/p+1/t18-,23-/m0/s1