6-chloranyl-4-phenyl-3-[(3R)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]-1H-quinolin-2-one

Systemtic Name: 6-chloranyl-4-phenyl-3-[(3R)-3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonylpiperidin-1-yl]-1H-quinolin-2-one Openeye Name: 6-chloro-4-phenyl-3-[(3R)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-1-piperidyl]-1H-quinolin-2-one CAS Name: 6-chloro-3-[(3R)-3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-1-piperidinyl]-4-phenyl-1H-quinolin-2-one IUPAC Name: 6-chloro-4-phenyl-3-[(3R)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidin-1-yl]-1H-quinolin-2-one Traditional Name: 6-chloro-4-phenyl-3-[(3R)-3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)piperidino]carbostyril Formula: C30H31ClN5O2+ MolecularWeight: 529.05244

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

Isomeric SMILES

C1C[C@H](CN(C1)C2=C(C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=C4)C(=O)N5CCN(CC5)C6=CC=CC=[NH+]6

InChI

InChI=1S/C30H30ClN5O2/c31-23-11-12-25-24(19-23)27(21-7-2-1-3-8-21)28(29(37)33-25)36-14-6-9-22(20-36)30(38)35-17-15-34(16-18-35)26-10-4-5-13-32-26/h1-5,7-8,10-13,19,22H,6,9,14-18,20H2,(H,33,37)/p+1/t22-/m1/s1