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

Systemtic Name: 1-adamantyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-[methyl-[[4-(methylthio)phenyl]methyl]amino]-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-[methyl-[4-(methylthio)benzyl]amino]ethyl]ammonium Formula: C21H31N2OS+ MolecularWeight: 359.54864

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H30N2OS/c1-23(14-15-3-5-19(25-2)6-4-15)20(24)13-22-21-10-16-7-17(11-21)9-18(8-16)12-21/h3-6,16-18,22H,7-14H2,1-2H3/p+1