2-adamantyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-adamantyl-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 2-adamantyl-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 2-adamantyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 2-adamantyl-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]azanium Traditional Name: 2-adamantyl-[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]ammonium Formula: C21H31N2O+ MolecularWeight: 327.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH2+]C2C3CC4CC(C3)CC2C4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH2+]C2C3CC4CC(C3)CC2C4)C

InChI

InChI=1S/C21H30N2O/c1-3-16-6-4-5-13(2)20(16)23-19(24)12-22-21-17-8-14-7-15(10-17)11-18(21)9-14/h4-6,14-15,17-18,21-22H,3,7-12H2,1-2H3,(H,23,24)/p+1