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

Systemtic Name: 6-butoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 6-butoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one CAS Name: 6-butoxy-2-methyl-3-[[(3R)-3-methyl-1-piperidin-1-iumyl]methyl]-1H-quinolin-4-one IUPAC Name: 6-butoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-1H-quinolin-4-one Traditional Name: 6-butoxy-2-methyl-3-[[(3R)-3-methylpiperidin-1-ium-1-yl]methyl]-4-quinolone Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCCC(C3)C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CCC[C@H](C3)C)C

InChI

InChI=1S/C21H30N2O2/c1-4-5-11-25-17-8-9-20-18(12-17)21(24)19(16(3)22-20)14-23-10-6-7-15(2)13-23/h8-9,12,15H,4-7,10-11,13-14H2,1-3H3,(H,22,24)/p+1/t15-/m1/s1