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

Systemtic Name: 3-methyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]butanamide Openeye Name: 3-methyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]butanamide CAS Name: 3-methyl-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]butanamide IUPAC Name: 3-methyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]butanamide Traditional Name: 3-methyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]butyramide Formula: C19H31N2O+ MolecularWeight: 303.46224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)CC(C)C)[NH+]2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)CC(C)C)[NH+]2CCCCC2

InChI

InChI=1S/C19H30N2O/c1-15(2)13-19(22)20-14-18(21-11-5-4-6-12-21)17-9-7-16(3)8-10-17/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,20,22)/p+1/t18-/m0/s1