N-cyclopentyl-1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide

Systemtic Name: N-cyclopentyl-1-[[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide CAS Name: N-cyclopentyl-1-[oxo-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-cyclopentyl-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]isonipecotamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4C[NH2+]3

Isomeric SMILES

C1CCC(C1)NC(=O)C2CCN(CC2)C(=O)[C@H]3CC4=CC=CC=C4C[NH2+]3

InChI

InChI=1S/C21H29N3O2/c25-20(23-18-7-3-4-8-18)15-9-11-24(12-10-15)21(26)19-13-16-5-1-2-6-17(16)14-22-19/h1-2,5-6,15,18-19,22H,3-4,7-14H2,(H,23,25)/p+1/t19-/m1/s1