bis(azanyl)methylidene-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium; methanesulfonate

Systemtic Name: bis(azanyl)methylidene-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium; methanesulfonate Openeye Name: diaminomethylene-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]ammonium; methanesulfonate CAS Name: diaminomethylidene-[2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]ethyl]ammonium; methanesulfonate IUPAC Name: diaminomethylidene-[2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]ethyl]azanium; methanesulfonate Traditional Name: diaminomethylene-[2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]ethyl]ammonium mesylate Formula: C15H24N4O6S MolecularWeight: 388.43926

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)NCC[NH+]=C(N)N)OC.CS(=O)(=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)NCC[NH+]=C(N)N)OC.CS(=O)(=O)[O-]

InChI

InChI=1S/C14H20N4O3.CH4O3S/c1-20-11-5-3-10(9-12(11)21-2)4-6-13(19)17-7-8-18-14(15)16;1-5(2,3)4/h3-6,9H,7-8H2,1-2H3,(H,17,19)(H4,15,16,18);1H3,(H,2,3,4)/b6-4+;