1-(azepan-1-yl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone CAS Name: 1-(1-azepanyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanone Formula: C25H33N2O3+ MolecularWeight: 409.54112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)N3CCCCCC3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)N3CCCCCC3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H32N2O3/c1-29-22-16-20-12-15-27(18-24(28)26-13-8-3-4-9-14-26)25(19-10-6-5-7-11-19)21(20)17-23(22)30-2/h5-7,10-11,16-17,25H,3-4,8-9,12-15,18H2,1-2H3/p+1/t25-/m1/s1