[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium

Systemtic Name: [2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[(1-cyanocycloheptyl)amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[(1-cyanocycloheptyl)amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[(1-cyanocycloheptyl)amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2(CCCCCC2)C#N

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)NC2(CCCCCC2)C#N

InChI

InChI=1S/C19H27N3OS/c1-22(13-16-7-9-17(24-2)10-8-16)14-18(23)21-19(15-20)11-5-3-4-6-12-19/h7-10H,3-6,11-14H2,1-2H3,(H,21,23)/p+1