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

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 2-phenylethanoate; methanesulfonate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 2-phenylacetate; methanesulfonate CAS Name: methanesulfonate; 2-phenylacetic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 2-phenylacetate; methanesulfonate Traditional Name: 2-phenylacetic acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester mesylate Formula: C18H19N2O5S- MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O2.CH4O3S/c18-16(19)11-8-13-6-9-15(10-7-13)21-17(20)12-14-4-2-1-3-5-14;1-5(2,3)4/h1-11H,12H2,(H3,18,19);1H3,(H,2,3,4)/p-1/b11-8+;