[(2S)-1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-(4-phenylmethoxyphenyl)azanium

Systemtic Name: [(2S)-1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxidanylidene-propan-2-yl]-(4-phenylmethoxyphenyl)azanium Openeye Name: (4-benzyloxyphenyl)-[(1S)-2-(4-ethoxycarbonyl-1-piperidyl)-1-methyl-2-oxo-ethyl]ammonium CAS Name: [(2S)-1-(4-ethoxycarbonyl-1-piperidinyl)-1-oxopropan-2-yl]-(4-phenylmethoxyphenyl)ammonium IUPAC Name: [(2S)-1-(4-ethoxycarbonylpiperidin-1-yl)-1-oxopropan-2-yl]-(4-phenylmethoxyphenyl)azanium Traditional Name: (4-benzoxyphenyl)-[(1S)-2-(4-carbethoxypiperidino)-2-keto-1-methyl-ethyl]ammonium Formula: C24H31N2O4+ MolecularWeight: 411.51394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)[NH2+]C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)[C@H](C)[NH2+]C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C24H30N2O4/c1-3-29-24(28)20-13-15-26(16-14-20)23(27)18(2)25-21-9-11-22(12-10-21)30-17-19-7-5-4-6-8-19/h4-12,18,20,25H,3,13-17H2,1-2H3/p+1/t18-/m0/s1