[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium

Systemtic Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl]-(3-methylbutyl)azanium Openeye Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl]-isopentyl-ammonium CAS Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methylbutyl)ammonium IUPAC Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-(3-methylbutyl)azanium Traditional Name: [2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl]-isoamyl-ammonium Formula: C18H29N2O3+ MolecularWeight: 321.43446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[NH2+]CC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

Isomeric SMILES

CC(C)CC[NH2+]CC(=O)N1CCC2=CC(=C(C=C2C1)OC)OC

InChI

InChI=1S/C18H28N2O3/c1-13(2)5-7-19-11-18(21)20-8-6-14-9-16(22-3)17(23-4)10-15(14)12-20/h9-10,13,19H,5-8,11-12H2,1-4H3/p+1