N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]quinoline-6-carboxamide

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]quinoline-6-carboxamide Openeye Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]quinoline-6-carboxamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-6-quinolinecarboxamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]quinoline-6-carboxamide Traditional Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]quinoline-6-carboxamide Formula: C26H32N3O+ MolecularWeight: 402.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)C3=CC4=C(C=C3)N=CC=C4

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)C3=CC4=C(C=C3)N=CC=C4

InChI

InChI=1S/C26H31N3O/c1-20-7-3-4-9-22(20)13-16-29-15-6-8-21(19-29)18-28(2)26(30)24-11-12-25-23(17-24)10-5-14-27-25/h3-5,7,9-12,14,17,21H,6,8,13,15-16,18-19H2,1-2H3/p+1/t21-/m1/s1