(3S)-1-ethanoyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide

Systemtic Name: (3S)-1-ethanoyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide Openeye Name: (3S)-1-acetyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide CAS Name: (3S)-1-acetyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-acetyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]piperidine-3-carboxamide Traditional Name: (3S)-1-acetyl-N-[3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]nipecotamide Formula: C20H30N3O2+ MolecularWeight: 344.4711

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC(C1)C(=O)NCCC[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(=O)N1CCC[C@@H](C1)C(=O)NCCC[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H29N3O2/c1-16(24)23-12-4-8-19(15-23)20(25)21-10-5-11-22-13-9-17-6-2-3-7-18(17)14-22/h2-3,6-7,19H,4-5,8-15H2,1H3,(H,21,25)/p+1/t19-/m0/s1