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

Systemtic Name: 3-methyl-N-[(2S)-1-oxidanylidene-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Openeye Name: 3-methyl-N-[(1S)-1-methyl-2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]benzamide CAS Name: 3-methyl-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propan-2-yl]benzamide IUPAC Name: 3-methyl-N-[(2S)-1-oxo-1-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propan-2-yl]benzamide Traditional Name: N-[(1S)-2-keto-1-methyl-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]-3-methyl-benzamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-16-4-3-5-19(14-16)20(26)23-17(2)21(27)25-12-10-24(11-13-25)15-18-6-8-22-9-7-18/h3-9,14,17H,10-13,15H2,1-2H3,(H,23,26)/p+1/t17-/m0/s1