[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl]-methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl]-methyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [2-(3,4-diethoxyanilino)-2-keto-ethyl]-methyl-(4-nitrobenzyl)ammonium Formula: C20H26N3O5+ MolecularWeight: 388.43754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+](C)CC2=CC=C(C=C2)[N+](=O)[O-])OCC

InChI

InChI=1S/C20H25N3O5/c1-4-27-18-11-8-16(12-19(18)28-5-2)21-20(24)14-22(3)13-15-6-9-17(10-7-15)23(25)26/h6-12H,4-5,13-14H2,1-3H3,(H,21,24)/p+1