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

Systemtic Name: 2-chloranyl-3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline Openeye Name: 2-chloro-3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline CAS Name: 2-chloro-3-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]quinoline IUPAC Name: 2-chloro-3-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]quinoline Traditional Name: 2-chloro-3-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]quinoline Formula: C23H28ClN3O2+2 MolecularWeight: 413.94032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=CC=CC=C4N=C3Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=CC4=CC=CC=C4N=C3Cl)OC

InChI

InChI=1S/C23H26ClN3O2/c1-28-21-8-7-17(13-22(21)29-2)15-26-9-11-27(12-10-26)16-19-14-18-5-3-4-6-20(18)25-23(19)24/h3-8,13-14H,9-12,15-16H2,1-2H3/p+2