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

Systemtic Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(3-methylphenyl)azanium Openeye Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-(m-tolyl)ammonium CAS Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methylphenyl)ammonium IUPAC Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methylphenyl)azanium Traditional Name: [2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-(m-tolyl)ammonium Formula: C18H21N2O+ MolecularWeight: 281.37214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)[NH2+]CC(=O)N2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=CC=C1)[NH2+]CC(=O)N2CCC3=CC=CC=C3C2

InChI

InChI=1S/C18H20N2O/c1-14-5-4-8-17(11-14)19-12-18(21)20-10-9-15-6-2-3-7-16(15)13-20/h2-8,11,19H,9-10,12-13H2,1H3/p+1