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

Systemtic Name: 6-(dimethylamino)-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 6-(dimethylamino)-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-(dimethylamino)-3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-(dimethylamino)-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-(dimethylamino)-3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-2-methyl-4-quinolone Formula: C20H30N3O+ MolecularWeight: 328.4717

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)N(C)C)C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C(NC3=C(C2=O)C=C(C=C3)N(C)C)C

InChI

InChI=1S/C20H29N3O/c1-5-15-8-6-7-11-23(15)13-18-14(2)21-19-10-9-16(22(3)4)12-17(19)20(18)24/h9-10,12,15H,5-8,11,13H2,1-4H3,(H,21,24)/p+1/t15-/m0/s1