(3R)-3-methyl-5-oxidanylidene-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide

Systemtic Name: (3R)-3-methyl-5-oxidanylidene-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: (3R)-3-methyl-5-oxo-N-phenyl-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: (3R)-3-methyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: (3R)-5-keto-3-methyl-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)NC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

C[C@H](CC(=O)NC1=CC=CC=C1)CC(=O)N2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C21H26N4O2/c1-17(15-20(26)23-18-7-3-2-4-8-18)16-21(27)25-13-11-24(12-14-25)19-9-5-6-10-22-19/h2-10,17H,11-16H2,1H3,(H,23,26)/p+1/t17-/m1/s1