[7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-quinolin-1-ium-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolin-1-iumyl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-1-ium-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-quinolin-1-ium-3-yl]methyl-[2-(4-methoxyphenyl)ethyl]ammonium Formula: C25H31ClN4O2+2 MolecularWeight: 454.99224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]CCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]CCC4=CC=C(C=C4)OC

InChI

InChI=1S/C25H29ClN4O2/c1-18(31)29-11-13-30(14-12-29)25-21(15-20-5-6-22(26)16-24(20)28-25)17-27-10-9-19-3-7-23(32-2)8-4-19/h3-8,15-16,27H,9-14,17H2,1-2H3/p+2