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

Systemtic Name: 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenylmethoxy-1H-quinolin-4-one Openeye Name: 6-benzyloxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 2-methyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-6-phenylmethoxy-1H-quinolin-4-one IUPAC Name: 2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-6-phenylmethoxy-1H-quinolin-4-one Traditional Name: 6-benzoxy-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C24H29N2O2+ MolecularWeight: 377.49926

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N2O2/c1-17-7-6-12-26(14-17)15-22-18(2)25-23-11-10-20(13-21(23)24(22)27)28-16-19-8-4-3-5-9-19/h3-5,8-11,13,17H,6-7,12,14-16H2,1-2H3,(H,25,27)/p+1/t17-/m0/s1