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

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-3-quinolyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolinyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-3-yl]methyl-[2-(3-methoxyphenyl)ethyl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-3-quinolyl]methyl-[2-(3-methoxyphenyl)ethyl]ammonium Formula: C25H30ClN4O2+ MolecularWeight: 453.9843

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]CCC4=CC(=CC=C4)OC

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]CCC4=CC(=CC=C4)OC

InChI

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