1-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(2R)-1-oxidanylidene-1-[4-(phenylmethyl)piperidin-1-yl]propan-2-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(1R)-2-(4-benzyl-1-piperidyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(2R)-1-oxo-1-[4-(phenylmethyl)-1-piperidinyl]propan-2-yl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(2R)-1-(4-benzylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(1R)-2-(4-benzylpiperidino)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

Isomeric SMILES

C[C@H](C(=O)N1CCC(CC1)CC2=CC=CC=C2)[NH+]3CCC(CC3)C(=O)N

InChI

InChI=1S/C21H31N3O2/c1-16(23-13-9-19(10-14-23)20(22)25)21(26)24-11-7-18(8-12-24)15-17-5-3-2-4-6-17/h2-6,16,18-19H,7-15H2,1H3,(H2,22,25)/p+1/t16-/m1/s1