(2S)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide

Systemtic Name: (2S)-2-[4-(phenylcarbonyl)pyridin-1-ium-1-yl]-N-(4-piperidin-1-ylphenyl)propanamide Openeye Name: (2S)-2-(4-benzoylpyridin-1-ium-1-yl)-N-[4-(1-piperidyl)phenyl]propanamide CAS Name: (2S)-2-(4-benzoyl-1-pyridin-1-iumyl)-N-[4-(1-piperidinyl)phenyl]propanamide IUPAC Name: (2S)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-piperidin-1-ylphenyl)propanamide Traditional Name: (2S)-2-(4-benzoylpyridin-1-ium-1-yl)-N-(4-piperidinophenyl)propionamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)N2CCCCC2)[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)N2CCCCC2)[N+]3=CC=C(C=C3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H27N3O2/c1-20(28-18-14-22(15-19-28)25(30)21-8-4-2-5-9-21)26(31)27-23-10-12-24(13-11-23)29-16-6-3-7-17-29/h2,4-5,8-15,18-20H,3,6-7,16-17H2,1H3/p+1/t20-/m0/s1