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

Systemtic Name: cyclopropyl-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-[(4-propan-2-ylphenyl)methyl]azanium Openeye Name: cyclopropyl-[(4-isopropylphenyl)methyl]-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: cyclopropyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]ammonium IUPAC Name: cyclopropyl-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-[(4-propan-2-ylphenyl)methyl]azanium Traditional Name: cyclopropyl-(4-isopropylbenzyl)-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3CC3

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+](CC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])OC)C3CC3

InChI

InChI=1S/C22H27N3O4/c1-15(2)17-6-4-16(5-7-17)13-24(18-8-9-18)14-22(26)23-20-12-19(25(27)28)10-11-21(20)29-3/h4-7,10-12,15,18H,8-9,13-14H2,1-3H3,(H,23,26)/p+1