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

Systemtic Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Openeye Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide CAS Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-1H-indole-2-carboxamide IUPAC Name: N-methyl-N-[[(3R)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Traditional Name: N-methyl-N-[[(3R)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-1H-indole-2-carboxamide Formula: C25H32N3O+ MolecularWeight: 390.54108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@@H](C2)CN(C)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H31N3O/c1-19-8-3-4-10-21(19)13-15-28-14-7-9-20(18-28)17-27(2)25(29)24-16-22-11-5-6-12-23(22)26-24/h3-6,8,10-12,16,20,26H,7,9,13-15,17-18H2,1-2H3/p+1/t20-/m1/s1