2-piperidin-1-ium-1-yl-1-[(4S)-2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone

Systemtic Name: 2-piperidin-1-ium-1-yl-1-[(4S)-2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone Openeye Name: 2-piperidin-1-ium-1-yl-1-[(4S)-2,2,4-trimethyl-4-(m-tolyl)-3H-quinolin-1-yl]ethanone CAS Name: 2-(1-piperidin-1-iumyl)-1-[(4S)-2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone IUPAC Name: 2-piperidin-1-ium-1-yl-1-[(4S)-2,2,4-trimethyl-4-(3-methylphenyl)-3H-quinolin-1-yl]ethanone Traditional Name: 2-piperidin-1-ium-1-yl-1-[(4S)-2,2,4-trimethyl-4-(m-tolyl)-3H-quinolin-1-yl]ethanone Formula: C26H35N2O+ MolecularWeight: 391.5689

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2(CC(N(C3=CC=CC=C32)C(=O)C[NH+]4CCCCC4)(C)C)C

Isomeric SMILES

CC1=CC=CC(=C1)[C@@]2(CC(N(C3=CC=CC=C32)C(=O)C[NH+]4CCCCC4)(C)C)C

InChI

InChI=1S/C26H34N2O/c1-20-11-10-12-21(17-20)26(4)19-25(2,3)28(23-14-7-6-13-22(23)26)24(29)18-27-15-8-5-9-16-27/h6-7,10-14,17H,5,8-9,15-16,18-19H2,1-4H3/p+1/t26-/m0/s1