1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanone Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C22H27N3O2/c1-27-21-8-6-20(7-9-21)24-12-14-25(15-13-24)22(26)17-23-11-10-18-4-2-3-5-19(18)16-23/h2-9H,10-17H2,1H3/p+1