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

Systemtic Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxidanylidene-piperidine-3-carboxamide Openeye Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxo-piperidine-3-carboxamide CAS Name: (3S)-N-[(3-chlorophenyl)methyl]-1-[3-(4-morpholin-4-iumyl)propyl]-6-oxo-3-piperidinecarboxamide IUPAC Name: (3S)-N-[(3-chlorophenyl)methyl]-1-(3-morpholin-4-ium-4-ylpropyl)-6-oxopiperidine-3-carboxamide Traditional Name: (3S)-N-(3-chlorobenzyl)-6-keto-1-(3-morpholin-4-ium-4-ylpropyl)nipecotamide Formula: C20H29ClN3O3+ MolecularWeight: 394.91556

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(CC1C(=O)NCC2=CC(=CC=C2)Cl)CCC[NH+]3CCOCC3

Isomeric SMILES

C1CC(=O)N(C[C@H]1C(=O)NCC2=CC(=CC=C2)Cl)CCC[NH+]3CCOCC3

InChI

InChI=1S/C20H28ClN3O3/c21-18-4-1-3-16(13-18)14-22-20(26)17-5-6-19(25)24(15-17)8-2-7-23-9-11-27-12-10-23/h1,3-4,13,17H,2,5-12,14-15H2,(H,22,26)/p+1/t17-/m0/s1