[7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium

Systemtic Name: [7-chloranyl-2-(4-ethanoylpiperazin-1-yl)quinolin-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Openeye Name: [2-(4-acetylpiperazin-1-yl)-7-chloro-3-quinolyl]methyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium CAS Name: [2-(4-acetyl-1-piperazinyl)-7-chloro-3-quinolinyl]methyl-[(4S)-2,2-dimethyl-4-oxanyl]ammonium IUPAC Name: [2-(4-acetylpiperazin-1-yl)-7-chloroquinolin-3-yl]methyl-[(4S)-2,2-dimethyloxan-4-yl]azanium Traditional Name: [2-(4-acetylpiperazino)-7-chloro-3-quinolyl]methyl-[(4S)-2,2-dimethyltetrahydropyran-4-yl]ammonium Formula: C23H32ClN4O2+ MolecularWeight: 431.97878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+]C4CCOC(C4)(C)C

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C3C=CC(=CC3=N2)Cl)C[NH2+][C@H]4CCOC(C4)(C)C

InChI

InChI=1S/C23H31ClN4O2/c1-16(29)27-7-9-28(10-8-27)22-18(12-17-4-5-19(24)13-21(17)26-22)15-25-20-6-11-30-23(2,3)14-20/h4-5,12-13,20,25H,6-11,14-15H2,1-3H3/p+1/t20-/m0/s1