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

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 3-methylbutanoate; methanesulfonate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 3-methylbutanoate; methanesulfonate CAS Name: methanesulfonate; 3-methylbutanoic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 3-methylbutanoate; methanesulfonate Traditional Name: 3-methylbutyric acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester mesylate Formula: C15H21N2O5S- MolecularWeight: 341.40264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1=CC=C(C=C1)C=CC(=N)N.CS(=O)(=O)[O-]

Isomeric SMILES

CC(C)CC(=O)OC1=CC=C(C=C1)/C=C/C(=N)N.CS(=O)(=O)[O-]

InChI

InChI=1S/C14H18N2O2.CH4O3S/c1-10(2)9-14(17)18-12-6-3-11(4-7-12)5-8-13(15)16;1-5(2,3)4/h3-8,10H,9H2,1-2H3,(H3,15,16);1H3,(H,2,3,4)/p-1/b8-5+;