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

Systemtic Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]ethanone Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC(=O)N3CCC4=CC(=C(C=C4C3)OC)OC)C

InChI

InChI=1S/C25H33N3O3/c1-18-6-5-7-22(19(18)2)27-12-10-26(11-13-27)17-25(29)28-9-8-20-14-23(30-3)24(31-4)15-21(20)16-28/h5-7,14-15H,8-13,16-17H2,1-4H3/p+1