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

Systemtic Name: N-cyclohexyl-1-[[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]carbonyl]piperidine-4-carboxamide Openeye Name: N-cyclohexyl-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide CAS Name: N-cyclohexyl-1-[oxo-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-yl]methyl]-4-piperidinecarboxamide IUPAC Name: N-cyclohexyl-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]piperidine-4-carboxamide Traditional Name: N-cyclohexyl-1-[(3S)-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carbonyl]isonipecotamide Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)C3CC4=CC=CC=C4C[NH2+]3

Isomeric SMILES

C1CCC(CC1)NC(=O)C2CCN(CC2)C(=O)[C@@H]3CC4=CC=CC=C4C[NH2+]3

InChI

InChI=1S/C22H31N3O2/c26-21(24-19-8-2-1-3-9-19)16-10-12-25(13-11-16)22(27)20-14-17-6-4-5-7-18(17)15-23-20/h4-7,16,19-20,23H,1-3,8-15H2,(H,24,26)/p+1/t20-/m0/s1