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

Systemtic Name: (3R)-2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Openeye Name: (3R)-2-[2-(cyclohexylamino)-2-oxo-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide CAS Name: (3R)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide IUPAC Name: (3R)-2-[2-(cyclohexylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Traditional Name: (3R)-2-[2-(cyclohexylamino)-2-keto-ethyl]-1,2,3,4-tetrahydroisoquinolin-2-ium-3-carboxamide Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)C[NH+]2CC3=CC=CC=C3CC2C(=O)N

Isomeric SMILES

C1CCC(CC1)NC(=O)C[NH+]2CC3=CC=CC=C3C[C@@H]2C(=O)N

InChI

InChI=1S/C18H25N3O2/c19-18(23)16-10-13-6-4-5-7-14(13)11-21(16)12-17(22)20-15-8-2-1-3-9-15/h4-7,15-16H,1-3,8-12H2,(H2,19,23)(H,20,22)/p+1/t16-/m1/s1