[4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate; methanesulfonate

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate; methanesulfonate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate; methanesulfonate CAS Name: methanesulfonate; (E)-3-phenyl-2-propenoic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate; methanesulfonate Traditional Name: (E)-3-phenylacrylic acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester mesylate Formula: C19H19N2O5S- MolecularWeight: 387.42956

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1=CC=C(C=C1)C=CC(=O)OC2=CC=C(C=C2)C=CC(=N)N

Isomeric SMILES

CS(=O)(=O)[O-].C1=CC=C(C=C1)/C=C/C(=O)OC2=CC=C(C=C2)/C=C/C(=N)N

InChI

InChI=1S/C18H16N2O2.CH4O3S/c19-17(20)12-8-15-6-10-16(11-7-15)22-18(21)13-9-14-4-2-1-3-5-14;1-5(2,3)4/h1-13H,(H3,19,20);1H3,(H,2,3,4)/p-1/b12-8+,13-9+;