2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenoxy-1H-quinolin-4-one

Systemtic Name: 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenoxy-1H-quinolin-4-one Openeye Name: 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenoxy-1H-quinolin-4-one CAS Name: 2-methyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-6-phenoxy-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenoxy-1H-quinolin-4-one Traditional Name: 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenoxy-4-quinolone Formula: C23H27N2O2+ MolecularWeight: 363.47268

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C23H26N2O2/c1-16-7-6-12-25(14-16)15-21-17(2)24-22-11-10-19(13-20(22)23(21)26)27-18-8-4-3-5-9-18/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,26)/p+1/t16-/m0/s1