[7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[(3,5-dimethoxyphenyl)methyl]azanium

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[(3,5-dimethoxyphenyl)methyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-quinolin-1-ium-3-yl]methyl-[(3,5-dimethoxyphenyl)methyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolin-1-iumyl]methyl-[(3,5-dimethoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-1-ium-3-yl]methyl-[(3,5-dimethoxyphenyl)methyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-quinolin-1-ium-3-yl]methyl-(3,5-dimethoxybenzyl)ammonium Formula: C25H31ClN4O3+2 MolecularWeight: 470.99164

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]CC4=CC(=CC(=C4)OC)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]CC4=CC(=CC(=C4)OC)OC

InChI

InChI=1S/C25H29ClN4O3/c1-17(31)29-6-8-30(9-7-29)25-20(12-19-4-5-21(26)13-24(19)28-25)16-27-15-18-10-22(32-2)14-23(11-18)33-3/h4-5,10-14,27H,6-9,15-16H2,1-3H3/p+2