3-methyl-4-oxidanylidene-8-[(E)-3-phenylprop-2-enoyl]-8-aza-4-azoniabicyclo[3.2.1]octan-2-one

Systemtic Name: 3-methyl-4-oxidanylidene-8-[(E)-3-phenylprop-2-enoyl]-8-aza-4-azoniabicyclo[3.2.1]octan-2-one Openeye Name: 3-methyl-4-oxo-8-[(E)-3-phenylprop-2-enoyl]-8-aza-4-azoniabicyclo[3.2.1]octan-2-one CAS Name: 3-methyl-4-oxo-8-[(E)-1-oxo-3-phenylprop-2-enyl]-8-aza-4-azoniabicyclo[3.2.1]octan-2-one IUPAC Name: 3-methyl-4-oxo-8-[(E)-3-phenylprop-2-enoyl]-8-aza-4-azoniabicyclo[3.2.1]octan-2-one Traditional Name: 4-keto-3-methyl-8-[(E)-3-phenylacryloyl]-8-aza-4-azoniabicyclo[3.2.1]octan-2-one Formula: C16H17N2O3+ MolecularWeight: 285.31778

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2CCC(N2C(=O)C=CC3=CC=CC=C3)[N+]1=O

Isomeric SMILES

CC1C(=O)C2CCC(N2C(=O)/C=C/C3=CC=CC=C3)[N+]1=O

InChI

InChI=1S/C16H17N2O3/c1-11-16(20)13-8-9-14(18(11)21)17(13)15(19)10-7-12-5-3-2-4-6-12/h2-7,10-11,13-14H,8-9H2,1H3/q+1/b10-7+