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

Systemtic Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(1R)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H33N3O4/c1-35-26-18-22-12-13-32(29(21-6-4-3-5-7-21)25(22)19-27(26)36-2)28(34)20-30-14-16-31(17-15-30)23-8-10-24(33)11-9-23/h3-11,18-19,29,33H,12-17,20H2,1-2H3/p+1/t29-/m1/s1