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

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-[(2,5-dimethoxyphenyl)methyl]-ethyl-azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-[(2,5-dimethoxyphenyl)methyl]-ethyl-ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(2,5-dimethoxyphenyl)methyl]-ethylammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-[(2,5-dimethoxyphenyl)methyl]-ethylazanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-(2,5-dimethoxybenzyl)-ethyl-ammonium Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(C=CC(=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC[NH+](CC1=C(C=CC(=C1)OC)OC)CC(=O)NC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H27N3O4/c1-5-24(13-16-12-19(27-3)10-11-20(16)28-4)14-21(26)23-18-8-6-17(7-9-18)22-15(2)25/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1