1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanone

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]ethanone Formula: C26H35N2O4+ MolecularWeight: 439.5671

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCC[NH+]2CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCC[NH+]2CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC

InChI

InChI=1S/C26H34N2O4/c1-30-22-10-8-19(9-11-22)23-7-5-4-6-13-27(23)18-26(29)28-14-12-20-15-24(31-2)25(32-3)16-21(20)17-28/h8-11,15-16,23H,4-7,12-14,17-18H2,1-3H3/p+1/t23-/m1/s1