N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-butanamide

Systemtic Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-butanamide Openeye Name: N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-butanamide CAS Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]-3-piperidin-1-iumyl]methyl]-4-phenylbutanamide IUPAC Name: N-methyl-N-[[(3S)-1-[2-(2-methylphenyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-phenylbutanamide Traditional Name: N-methyl-N-[[(3S)-1-[2-(o-tolyl)ethyl]piperidin-1-ium-3-yl]methyl]-4-phenyl-butyramide Formula: C26H37N2O+ MolecularWeight: 393.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CC[NH+]2CCCC(C2)CN(C)C(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1CC[NH+]2CCC[C@H](C2)CN(C)C(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C26H36N2O/c1-22-10-6-7-15-25(22)17-19-28-18-9-14-24(21-28)20-27(2)26(29)16-8-13-23-11-4-3-5-12-23/h3-7,10-12,15,24H,8-9,13-14,16-21H2,1-2H3/p+1/t24-/m0/s1