1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium

Systemtic Name: 1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Openeye Name: 1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[3-(1-piperidyl)-1H-1,2,4-triazol-5-yl]isoquinolin-2-ium CAS Name: 1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[3-(1-piperidinyl)-1H-1,2,4-triazol-5-yl]isoquinolin-2-ium IUPAC Name: 1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-piperidin-1-yl-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Traditional Name: 1-(3-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(3-piperidino-1H-1,2,4-triazol-5-yl)isoquinolin-2-ium Formula: C25H27ClN5O2+ MolecularWeight: 464.96718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)N4CCCCC4)C5=CC(=CC=C5)Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NC(=NN3)N4CCCCC4)C5=CC(=CC=C5)Cl)OC)OC

InChI

InChI=1S/C25H27ClN5O2/c1-16-12-18-14-21(32-2)22(33-3)15-20(18)23(17-8-7-9-19(26)13-17)31(16)25-27-24(28-29-25)30-10-5-4-6-11-30/h7-9,12-15H,4-6,10-11H2,1-3H3,(H,27,28,29)/q+1