1-adamantyl-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(5-methoxycarbonyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(5-methoxycarbonyl-2-methyl-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(5-carbomethoxy-2-methyl-anilino)-2-keto-ethyl]ammonium Formula: C21H29N2O3+ MolecularWeight: 357.46656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-13-3-4-17(20(25)26-2)8-18(13)23-19(24)12-22-21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,14-16,22H,5-7,9-12H2,1-2H3,(H,23,24)/p+1