[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(3-methoxyphenyl)azanium

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(3-methoxyphenyl)azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-(3-methoxyphenyl)ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methoxyphenyl)ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methoxyphenyl)azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-(3-methoxyphenyl)ammonium Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)[NH2+]CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

COC1=CC=CC(=C1)[NH2+]CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H20N2O2/c1-22-17-8-4-7-16(11-17)19-12-18(21)20-10-9-14-5-2-3-6-15(14)13-20/h2-8,11,19H,9-10,12-13H2,1H3/p+1