(phenylmethyl) N-[1-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]piperidin-1-ium-4-yl]-N-phenyl-carbamate

Systemtic Name: (phenylmethyl) N-[1-[(2S)-1-oxidanylidene-1-phenyl-propan-2-yl]piperidin-1-ium-4-yl]-N-phenyl-carbamate Openeye Name: benzyl N-[1-[(1S)-1-methyl-2-oxo-2-phenyl-ethyl]piperidin-1-ium-4-yl]-N-phenyl-carbamate CAS Name: N-[1-[(2S)-1-oxo-1-phenylpropan-2-yl]-4-piperidin-1-iumyl]-N-phenylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[1-[(2S)-1-oxo-1-phenylpropan-2-yl]piperidin-1-ium-4-yl]-N-phenylcarbamate Traditional Name: N-[1-[(1S)-2-keto-1-methyl-2-phenyl-ethyl]piperidin-1-ium-4-yl]-N-phenyl-carbamic acid benzyl ester Formula: C28H31N2O3+ MolecularWeight: 443.55734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)[NH+]2CCC(CC2)N(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)C1=CC=CC=C1)[NH+]2CCC(CC2)N(C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-22(27(31)24-13-7-3-8-14-24)29-19-17-26(18-20-29)30(25-15-9-4-10-16-25)28(32)33-21-23-11-5-2-6-12-23/h2-16,22,26H,17-21H2,1H3/p+1/t22-/m0/s1