2-chloranyl-3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline

Systemtic Name: 2-chloranyl-3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[[4-(4,5-dimethoxy-2-methyl-benzyl)piperazine-1,4-diium-1-yl]methyl]quinoline Formula: C24H30ClN3O2+2 MolecularWeight: 427.9669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC4=CC=CC=C4N=C3Cl)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CC[NH+](CC2)CC3=CC4=CC=CC=C4N=C3Cl)OC)OC

InChI

InChI=1S/C24H28ClN3O2/c1-17-12-22(29-2)23(30-3)14-19(17)15-27-8-10-28(11-9-27)16-20-13-18-6-4-5-7-21(18)26-24(20)25/h4-7,12-14H,8-11,15-16H2,1-3H3/p+2