2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]ethanone Formula: C24H32FN3O3+2 MolecularWeight: 429.527583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4F)OC

InChI

InChI=1S/C24H30FN3O3/c1-30-22-13-18-7-8-27(16-20(18)14-23(22)31-2)17-24(29)28-11-9-26(10-12-28)15-19-5-3-4-6-21(19)25/h3-6,13-14H,7-12,15-17H2,1-2H3/p+2