1-adamantylmethyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium

Systemtic Name: 1-adamantylmethyl-[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]azanium Openeye Name: 1-adamantylmethyl-[(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantylmethyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]ammonium IUPAC Name: 1-adamantylmethyl-[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl]azanium Traditional Name: 1-adamantylmethyl-[(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl]ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])[NH2+]CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C20H27N3O3/c1-13(19(24)22-17-4-2-3-5-18(17)23(25)26)21-12-20-9-14-6-15(10-20)8-16(7-14)11-20/h2-5,13-16,21H,6-12H2,1H3,(H,22,24)/p+1/t13-,14?,15?,16?,20?/m1/s1