1-[(2-chlorophenyl)methyl]-6-methyl-3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]quinolin-2-one

Systemtic Name: 1-[(2-chlorophenyl)methyl]-6-methyl-3-[[(3S)-3-oxidanylpiperidin-1-ium-1-yl]methyl]quinolin-2-one Openeye Name: 1-[(2-chlorophenyl)methyl]-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-6-methyl-quinolin-2-one CAS Name: 1-[(2-chlorophenyl)methyl]-3-[[(3S)-3-hydroxy-1-piperidin-1-iumyl]methyl]-6-methyl-2-quinolinone IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-6-methylquinolin-2-one Traditional Name: 1-(2-chlorobenzyl)-3-[[(3S)-3-hydroxypiperidin-1-ium-1-yl]methyl]-6-methyl-carbostyril Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCCC(C3)O)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=O)C(=C2)C[NH+]3CCC[C@@H](C3)O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C23H25ClN2O2/c1-16-8-9-22-18(11-16)12-19(13-25-10-4-6-20(27)15-25)23(28)26(22)14-17-5-2-3-7-21(17)24/h2-3,5,7-9,11-12,20,27H,4,6,10,13-15H2,1H3/p+1/t20-/m0/s1