(3S)-N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-N-(p-tolylmethyl)piperidine-3-carboxamide CAS Name: (3S)-N-[(4-methylphenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(4-methylphenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-6-keto-N-(4-methylbenzyl)-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C21H32N3O3+ MolecularWeight: 374.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2CCC(=O)N(C2)CCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H]2CCC(=O)N(C2)CCC[NH+]3CCOCC3

InChI

InChI=1S/C21H31N3O3/c1-17-3-5-18(6-4-17)15-22-21(26)19-7-8-20(25)24(16-19)10-2-9-23-11-13-27-14-12-23/h3-6,19H,2,7-16H2,1H3,(H,22,26)/p+1/t19-/m0/s1