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

Systemtic Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N,N-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Openeye Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-N,N-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine CAS Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-2-isoquinolin-2-iumyl]-N,N-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine IUPAC Name: 5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methylisoquinolin-2-ium-2-yl]-N,N-diethyl-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-amine Traditional Name: [5-[1-(3,4-dimethoxyphenyl)-6,7-dimethoxy-3-methyl-isoquinolin-2-ium-2-yl]-1,2-diaza-4-azanidacyclopenta-2,5-dien-3-yl]-diethyl-amine Formula: C26H31N5O4 MolecularWeight: 477.55544

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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)OC)OC

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)OC)OC

InChI

InChI=1S/C26H31N5O4/c1-8-30(9-2)25-27-26(29-28-25)31-16(3)12-18-14-22(34-6)23(35-7)15-19(18)24(31)17-10-11-20(32-4)21(13-17)33-5/h10-15H,8-9H2,1-7H3