cyclopropyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-propan-2-ylphenyl)methyl]azanium

Systemtic Name: cyclopropyl-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-(4-isopropylbenzyl)-[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]ammonium Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+](CC2=CC=C(C=C2)C(C)C)C3CC3

InChI

InChI=1S/C22H27N3O3/c1-15(2)18-7-5-17(6-8-18)13-24(19-10-11-19)14-22(26)23-21-12-20(25(27)28)9-4-16(21)3/h4-9,12,15,19H,10-11,13-14H2,1-3H3,(H,23,26)/p+1