[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H25N3O4/c1-5-10-28-18-8-6-17(7-9-18)13-23(4)14-21(25)22-19-11-15(2)16(3)12-20(19)24(26)27/h5-9,11-12H,1,10,13-14H2,2-4H3,(H,22,25)/p+1