1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidin-1-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium

Systemtic Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidin-1-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Openeye Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[5-(1-piperidyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium CAS Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-[5-(1-piperidinyl)-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]isoquinolin-2-ium IUPAC Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidin-1-yl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Traditional Name: 1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-(5-piperidino-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl)isoquinolin-2-ium Formula: C25H26ClN5O2 MolecularWeight: 463.95924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)N4CCCCC4)C5=CC=CC=C5Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)N4CCCCC4)C5=CC=CC=C5Cl)OC)OC

InChI

InChI=1S/C25H26ClN5O2/c1-16-13-17-14-21(32-2)22(33-3)15-19(17)23(18-9-5-6-10-20(18)26)31(16)25-27-24(28-29-25)30-11-7-4-8-12-30/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3