N,N-diethyl-5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine

Systemtic Name: N,N-diethyl-5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Openeye Name: N,N-diethyl-5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine CAS Name: N,N-diethyl-5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine IUPAC Name: N,N-diethyl-5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Traditional Name: diethyl-[5-[1-(4-fluorophenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]amine Formula: C24H26FN5O2 MolecularWeight: 435.493943

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NN=C([N-]1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)F

Isomeric SMILES

CCN(CC)C1=NN=C([N-]1)[N+]2=C(C3=CC(=C(C=C3C=C2C)OC)OC)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H26FN5O2/c1-6-29(7-2)23-26-24(28-27-23)30-15(3)12-17-13-20(31-4)21(32-5)14-19(17)22(30)16-8-10-18(25)11-9-16/h8-14H,6-7H2,1-5H3