(3S)-1-[(4-chlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-6-oxidanylidene-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-1-[(4-chlorophenyl)methyl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-1-[(4-chlorophenyl)methyl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzyl)-6-keto-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)nipecotamide Formula: C21H31ClN3O3+ MolecularWeight: 408.94214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1CCC(=O)N(C1)CC2=CC=C(C=C2)Cl)[NH+]3CCOCC3

Isomeric SMILES

CC(C)(CNC(=O)[C@H]1CCC(=O)N(C1)CC2=CC=C(C=C2)Cl)[NH+]3CCOCC3

InChI

InChI=1S/C21H30ClN3O3/c1-21(2,25-9-11-28-12-10-25)15-23-20(27)17-5-8-19(26)24(14-17)13-16-3-6-18(22)7-4-16/h3-4,6-7,17H,5,8-15H2,1-2H3,(H,23,27)/p+1/t17-/m0/s1