[1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methyl ethanoate

Systemtic Name: [1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methyl ethanoate Openeye Name: [1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methyl acetate CAS Name: acetic acid [1-methyl-4-(1-phenyl-3-isoquinolinyl)-1-piperazin-1-iumyl]methyl ester IUPAC Name: [1-methyl-4-(1-phenylisoquinolin-3-yl)piperazin-1-ium-1-yl]methyl acetate Traditional Name: acetic acid [1-methyl-4-(1-phenyl-3-isoquinolyl)piperazin-1-ium-1-yl]methyl ester Formula: C23H26N3O2+ MolecularWeight: 376.47144

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

Isomeric SMILES

CC(=O)OC[N+]1(CCN(CC1)C2=CC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N3O2/c1-18(27)28-17-26(2)14-12-25(13-15-26)22-16-20-10-6-7-11-21(20)23(24-22)19-8-4-3-5-9-19/h3-11,16H,12-15,17H2,1-2H3/q+1