6-chloranyl-3-[(3S)-3-(4-ethylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-3-[(3S)-3-(4-ethylpiperazin-4-ium-1-yl)carbonylpiperidin-1-yl]-4-phenyl-1H-quinolin-2-one Openeye Name: 6-chloro-3-[(3S)-3-(4-ethylpiperazin-4-ium-1-carbonyl)-1-piperidyl]-4-phenyl-1H-quinolin-2-one CAS Name: 6-chloro-3-[(3S)-3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-1-piperidinyl]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-3-[(3S)-3-(4-ethylpiperazin-4-ium-1-carbonyl)piperidin-1-yl]-4-phenyl-1H-quinolin-2-one Traditional Name: 6-chloro-3-[(3S)-3-(4-ethylpiperazin-4-ium-1-carbonyl)piperidino]-4-phenyl-carbostyril Formula: C27H32ClN4O2+ MolecularWeight: 480.02158

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CCCN(C2)C3=C(C4=C(C=CC(=C4)Cl)NC3=O)C5=CC=CC=C5

InChI

InChI=1S/C27H31ClN4O2/c1-2-30-13-15-31(16-14-30)27(34)20-9-6-12-32(18-20)25-24(19-7-4-3-5-8-19)22-17-21(28)10-11-23(22)29-26(25)33/h3-5,7-8,10-11,17,20H,2,6,9,12-16,18H2,1H3,(H,29,33)/p+1/t20-/m0/s1