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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C2CCCN2C(=O)C3CC4=CC=CC=C4C[NH2+]3

Isomeric SMILES

C1CCC(CC1)NC(=O)[C@H]2CCCN2C(=O)[C@H]3CC4=CC=CC=C4C[NH2+]3

InChI

InChI=1S/C21H29N3O2/c25-20(23-17-9-2-1-3-10-17)19-11-6-12-24(19)21(26)18-13-15-7-4-5-8-16(15)14-22-18/h4-5,7-8,17-19,22H,1-3,6,9-14H2,(H,23,25)/p+1/t18-,19-/m1/s1