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

Systemtic Name: 6-ethyl-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 6-ethyl-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 6-ethyl-2-methyl-3-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 6-ethyl-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 6-ethyl-2-methyl-3-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C19H27N2O+ MolecularWeight: 299.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC(C3)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC[C@@H](C3)C)C

InChI

InChI=1S/C19H26N2O/c1-4-15-7-8-18-16(10-15)19(22)17(14(3)20-18)12-21-9-5-6-13(2)11-21/h7-8,10,13H,4-6,9,11-12H2,1-3H3,(H,20,22)/p+1/t13-/m0/s1