N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]benzamide

Systemtic Name: N-[(2S,3S)-3-methyl-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]benzamide Openeye Name: N-[(1S,2S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]butyl]benzamide CAS Name: N-[(2S,3S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]pentan-2-yl]benzamide IUPAC Name: N-[(2S,3S)-3-methyl-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]pentan-2-yl]benzamide Traditional Name: N-[(1S,2S)-2-methyl-1-[4-(4-pyridylmethyl)piperazin-4-ium-1-carbonyl]butyl]benzamide Formula: C23H31N4O2+ MolecularWeight: 395.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N1CC[NH+](CC1)CC2=CC=NC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H30N4O2/c1-3-18(2)21(25-22(28)20-7-5-4-6-8-20)23(29)27-15-13-26(14-16-27)17-19-9-11-24-12-10-19/h4-12,18,21H,3,13-17H2,1-2H3,(H,25,28)/p+1/t18-,21-/m0/s1