[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(2-phenoxyphenyl)methyl]azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(2-phenoxyphenyl)methyl]azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-[(2-phenoxyphenyl)methyl]ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2-phenoxyphenyl)methyl]ammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2-phenoxyphenyl)methyl]azanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-(2-phenoxybenzyl)ammonium Formula: C25H28N3O3+ MolecularWeight: 418.50812

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1OC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1OC2=CC=CC=C2)CC(=O)NC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C25H27N3O3/c1-3-28(18-25(30)27-22-15-13-21(14-16-22)26-19(2)29)17-20-9-7-8-12-24(20)31-23-10-5-4-6-11-23/h4-16H,3,17-18H2,1-2H3,(H,26,29)(H,27,30)/p+1