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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)CC(=O)N2CCC3=CC=CC=C3C2

InChI

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