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

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-cyclopentyl-azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-quinolin-1-ium-3-yl]methyl-cyclopentyl-ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolin-1-iumyl]methyl-cyclopentylammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-1-ium-3-yl]methyl-cyclopentylazanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-quinolin-1-ium-3-yl]methyl-cyclopentyl-ammonium Formula: C21H29ClN4O+2 MolecularWeight: 388.93416

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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+]C4CCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]C4CCCC4

InChI

InChI=1S/C21H27ClN4O/c1-15(27)25-8-10-26(11-9-25)21-17(14-23-19-4-2-3-5-19)12-16-6-7-18(22)13-20(16)24-21/h6-7,12-13,19,23H,2-5,8-11,14H2,1H3/p+2