7-chloranyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-(4-veratrylpiperazin-4-ium-1-yl)quinolin-1-ium Formula: C22H26ClN3O2+2 MolecularWeight: 399.91374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)OC

InChI

InChI=1S/C22H24ClN3O2/c1-27-21-6-3-16(13-22(21)28-2)15-25-9-11-26(12-10-25)20-7-8-24-19-14-17(23)4-5-18(19)20/h3-8,13-14H,9-12,15H2,1-2H3/p+2