(diphenylmethyl) 3-methyl-7-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-methyl-7-oxidanylidene-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: benzhydryl 3-methyl-7-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: 3-methyl-7-oxo-3-[(E)-3-(1-pyridin-1-iumyl)prop-1-enyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-methyl-7-oxo-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: 7-keto-3-methyl-3-[(E)-3-pyridin-1-ium-1-ylprop-1-enyl]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzhydryl ester Formula: C28H27N2O3S+ MolecularWeight: 471.59058

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C=CC[N+]5=CC=CC=C5

Isomeric SMILES

CC1(C(N2C(S1)CC2=O)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/C[N+]5=CC=CC=C5

InChI

InChI=1S/C28H27N2O3S/c1-28(16-11-19-29-17-9-4-10-18-29)26(30-23(31)20-24(30)34-28)27(32)33-25(21-12-5-2-6-13-21)22-14-7-3-8-15-22/h2-18,24-26H,19-20H2,1H3/q+1/b16-11+