1-adamantyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27N3O3/c1-12-3-17(18(23(25)26)4-13(12)2)22-19(24)11-21-20-8-14-5-15(9-20)7-16(6-14)10-20/h3-4,14-16,21H,5-11H2,1-2H3,(H,22,24)/p+1