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

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-1-ium-3-yl]methyl-cycloheptyl-azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-quinolin-1-ium-3-yl]methyl-cycloheptyl-ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolin-1-iumyl]methyl-cycloheptylammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-1-ium-3-yl]methyl-cycloheptylazanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-quinolin-1-ium-3-yl]methyl-cycloheptyl-ammonium Formula: C23H33ClN4O+2 MolecularWeight: 416.98732

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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+]C4CCCCCC4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=[NH+]2)Cl)C[NH2+]C4CCCCCC4

InChI

InChI=1S/C23H31ClN4O/c1-17(29)27-10-12-28(13-11-27)23-19(16-25-21-6-4-2-3-5-7-21)14-18-8-9-20(24)15-22(18)26-23/h8-9,14-15,21,25H,2-7,10-13,16H2,1H3/p+2