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

Systemtic Name: 3,3-dimethyl-5-oxidanylidene-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Openeye Name: 3,3-dimethyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide CAS Name: 3,3-dimethyl-5-oxo-N-phenyl-5-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pentanamide IUPAC Name: 3,3-dimethyl-5-oxo-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pentanamide Traditional Name: 5-keto-3,3-dimethyl-N-phenyl-5-(4-pyridin-1-ium-2-ylpiperazino)valeramide Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2/c1-22(2,16-20(27)24-18-8-4-3-5-9-18)17-21(28)26-14-12-25(13-15-26)19-10-6-7-11-23-19/h3-11H,12-17H2,1-2H3,(H,24,27)/p+1