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

Systemtic Name: N-[(1S)-3-[[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]amino]-3-oxidanylidene-1-phenyl-propyl]benzamide Openeye Name: N-[(1S)-3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-1-phenyl-propyl]benzamide CAS Name: N-[(1S)-3-[2-methyl-4-(4-methyl-1-piperazin-4-iumyl)anilino]-3-oxo-1-phenylpropyl]benzamide IUPAC Name: N-[(1S)-3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-3-oxo-1-phenylpropyl]benzamide Traditional Name: N-[(1S)-3-keto-3-[2-methyl-4-(4-methylpiperazin-4-ium-1-yl)anilino]-1-phenyl-propyl]benzamide Formula: C28H33N4O2+ MolecularWeight: 457.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O2/c1-21-19-24(32-17-15-31(2)16-18-32)13-14-25(21)29-27(33)20-26(22-9-5-3-6-10-22)30-28(34)23-11-7-4-8-12-23/h3-14,19,26H,15-18,20H2,1-2H3,(H,29,33)(H,30,34)/p+1/t26-/m0/s1