(4-aminocarbonylphenyl)methyl-cyclopropyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-cyclopropyl-[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: (4-carbamoylphenyl)methyl-cyclopropyl-[2-(2,5-dimethoxyanilino)-2-oxo-ethyl]ammonium CAS Name: (4-carbamoylphenyl)methyl-cyclopropyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-cyclopropyl-[2-(2,5-dimethoxyanilino)-2-oxoethyl]azanium Traditional Name: (4-carbamoylbenzyl)-cyclopropyl-[2-(2,5-dimethoxyanilino)-2-keto-ethyl]ammonium Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+](CC2=CC=C(C=C2)C(=O)N)C3CC3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)C[NH+](CC2=CC=C(C=C2)C(=O)N)C3CC3

InChI

InChI=1S/C21H25N3O4/c1-27-17-9-10-19(28-2)18(11-17)23-20(25)13-24(16-7-8-16)12-14-3-5-15(6-4-14)21(22)26/h3-6,9-11,16H,7-8,12-13H2,1-2H3,(H2,22,26)(H,23,25)/p+1