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

Systemtic Name: [4-[(E)-3-azanyl-3-azanylidene-prop-1-enyl]phenyl] 4-phenylbutanoate; methanesulfonate Openeye Name: [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] 4-phenylbutanoate; methanesulfonate CAS Name: methanesulfonate; 4-phenylbutanoic acid [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(E)-3-amino-3-iminoprop-1-enyl]phenyl] 4-phenylbutanoate; methanesulfonate Traditional Name: 4-phenylbutyric acid [4-[(E)-3-amino-3-imino-prop-1-enyl]phenyl] ester mesylate Formula: C20H23N2O5S- MolecularWeight: 403.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O2.CH4O3S/c20-18(21)14-11-16-9-12-17(13-10-16)23-19(22)8-4-7-15-5-2-1-3-6-15;1-5(2,3)4/h1-3,5-6,9-14H,4,7-8H2,(H3,20,21);1H3,(H,2,3,4)/p-1/b14-11+;