1-adamantyl-[(2R)-1-[(2-methoxy-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC)[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27N3O4/c1-12(22-20-9-13-5-14(10-20)7-15(6-13)11-20)19(24)21-17-4-3-16(23(25)26)8-18(17)27-2/h3-4,8,12-15,22H,5-7,9-11H2,1-2H3,(H,21,24)/p+1/t12-,13?,14?,15?,20?/m1/s1