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

Systemtic Name: 6-butyl-2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 6-butyl-2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 6-butyl-2-methyl-3-[[(2S)-2-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 6-butyl-2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 6-butyl-2-methyl-3-[[(2S)-2-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCCC3C)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC[C@@H]3C)C

InChI

InChI=1S/C21H30N2O/c1-4-5-9-17-10-11-20-18(13-17)21(24)19(16(3)22-20)14-23-12-7-6-8-15(23)2/h10-11,13,15H,4-9,12,14H2,1-3H3,(H,22,24)/p+1/t15-/m0/s1