(3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]piperidin-1-ium-3-carboxamide Formula: C17H24N3O2+ MolecularWeight: 302.39136

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)N

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC(=O)N2CCC3=CC=CC=C3C2)C(=O)N

InChI

InChI=1S/C17H23N3O2/c18-17(22)15-6-3-8-19(10-15)12-16(21)20-9-7-13-4-1-2-5-14(13)11-20/h1-2,4-5,15H,3,6-12H2,(H2,18,22)/p+1/t15-/m1/s1