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

Systemtic Name: 2-ethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-yl-ethyl]butanamide Openeye Name: 2-ethyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]butanamide CAS Name: 2-ethyl-N-[(2R)-2-(4-methylphenyl)-2-(1-piperidin-1-iumyl)ethyl]butanamide IUPAC Name: 2-ethyl-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ium-1-ylethyl]butanamide Traditional Name: 2-ethyl-N-[(2R)-2-piperidin-1-ium-1-yl-2-(p-tolyl)ethyl]butyramide Formula: C20H33N2O+ MolecularWeight: 317.48882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(=O)NCC(C1=CC=C(C=C1)C)[NH+]2CCCCC2

Isomeric SMILES

CCC(CC)C(=O)NC[C@@H](C1=CC=C(C=C1)C)[NH+]2CCCCC2

InChI

InChI=1S/C20H32N2O/c1-4-17(5-2)20(23)21-15-19(22-13-7-6-8-14-22)18-11-9-16(3)10-12-18/h9-12,17,19H,4-8,13-15H2,1-3H3,(H,21,23)/p+1/t19-/m0/s1