[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C20H30N3O2S+ MolecularWeight: 376.5361

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC(=O)NCCC2=CCCCC2

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC(=O)NCCC2=CCCCC2

InChI

InChI=1S/C20H29N3O2S/c1-23(14-17-8-10-18(26-2)11-9-17)15-19(24)22-20(25)21-13-12-16-6-4-3-5-7-16/h6,8-11H,3-5,7,12-15H2,1-2H3,(H2,21,22,24,25)/p+1