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

Systemtic Name: 1-adamantyl-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]ammonium Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O4/c1-12-3-17(23(25)26)18(27-2)7-16(12)22-19(24)11-21-20-8-13-4-14(9-20)6-15(5-13)10-20/h3,7,13-15,21H,4-6,8-11H2,1-2H3,(H,22,24)/p+1