7-chloranyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]quinolin-1-ium

Systemtic Name: 7-chloranyl-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]quinolin-1-ium Openeye Name: 7-chloro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]quinolin-1-ium CAS Name: 7-chloro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]quinolin-1-ium IUPAC Name: 7-chloro-4-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]quinolin-1-ium Traditional Name: 7-chloro-4-[4-(2,3,4-trimethoxybenzyl)piperazino]quinolin-1-ium Formula: C23H27ClN3O3+ MolecularWeight: 428.93178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C3=C4C=CC(=CC4=[NH+]C=C3)Cl)OC)OC

InChI

InChI=1S/C23H26ClN3O3/c1-28-21-7-4-16(22(29-2)23(21)30-3)15-26-10-12-27(13-11-26)20-8-9-25-19-14-17(24)5-6-18(19)20/h4-9,14H,10-13,15H2,1-3H3/p+1