bis(azanyl)methylidene-[5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]pentyl]azanium; methanesulfonate

Systemtic Name: bis(azanyl)methylidene-[5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]pentyl]azanium; methanesulfonate Openeye Name: diaminomethylene-[5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]pentyl]ammonium; methanesulfonate CAS Name: diaminomethylidene-[5-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]pentyl]ammonium; methanesulfonate IUPAC Name: diaminomethylidene-[5-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]pentyl]azanium; methanesulfonate Traditional Name: diaminomethylene-[5-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]pentyl]ammonium mesylate Formula: C18H30N4O6S MolecularWeight: 430.519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3.CH4O3S/c1-23-14-8-6-13(12-15(14)24-2)7-9-16(22)20-10-4-3-5-11-21-17(18)19;1-5(2,3)4/h6-9,12H,3-5,10-11H2,1-2H3,(H,20,22)(H4,18,19,21);1H3,(H,2,3,4)/b9-7+;