(3R)-2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide

Systemtic Name: (3R)-2-[2-(naphthalen-1-ylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-(1-naphthylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-(1-naphthalenylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-(naphthalen-1-ylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-keto-2-(1-naphthylamino)ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C22H22N3O2+ MolecularWeight: 360.42898

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Descriptors Computed from Structure

Canonical SMILES:

C1C([NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)N

Isomeric SMILES

C1[C@@H]([NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C22H21N3O2/c23-22(27)20-12-16-7-1-2-8-17(16)13-25(20)14-21(26)24-19-11-5-9-15-6-3-4-10-18(15)19/h1-11,20H,12-14H2,(H2,23,27)(H,24,26)/p+1/t20-/m1/s1