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

Systemtic Name: 2-[4-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[5-[1-(2-chlorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]piperazino]ethanol Formula: C26H29ClN6O3 MolecularWeight: 508.99986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)N4CCN(CC4)CCO)C5=CC=CC=C5Cl)OC)OC

Isomeric SMILES

CC1=CC2=CC(=C(C=C2C(=[N+]1C3=NN=C([N-]3)N4CCN(CC4)CCO)C5=CC=CC=C5Cl)OC)OC

InChI

InChI=1S/C26H29ClN6O3/c1-17-14-18-15-22(35-2)23(36-3)16-20(18)24(19-6-4-5-7-21(19)27)33(17)26-28-25(29-30-26)32-10-8-31(9-11-32)12-13-34/h4-7,14-16,34H,8-13H2,1-3H3