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

Systemtic Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxo-ethyl]-methyl-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-methyl-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-oxoethyl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [2-[1-adamantyl(2-cyanoethyl)amino]-2-keto-ethyl]-methyl-[4-(methylthio)benzyl]ammonium Formula: C24H34N3OS+ MolecularWeight: 412.61126

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)SC)CC(=O)N(CCC#N)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H33N3OS/c1-26(16-18-4-6-22(29-2)7-5-18)17-23(28)27(9-3-8-25)24-13-19-10-20(14-24)12-21(11-19)15-24/h4-7,19-21H,3,9-17H2,1-2H3/p+1