[2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(2-methoxy-5-methyl-phenyl)methyl]azanium

Systemtic Name: [2-[(4-acetamidophenyl)amino]-2-oxidanylidene-ethyl]-ethyl-[(2-methoxy-5-methyl-phenyl)methyl]azanium Openeye Name: [2-(4-acetamidoanilino)-2-oxo-ethyl]-ethyl-[(2-methoxy-5-methyl-phenyl)methyl]ammonium CAS Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2-methoxy-5-methylphenyl)methyl]ammonium IUPAC Name: [2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2-methoxy-5-methylphenyl)methyl]azanium Traditional Name: [2-(4-acetamidoanilino)-2-keto-ethyl]-ethyl-(2-methoxy-5-methyl-benzyl)ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-5-24(13-17-12-15(2)6-11-20(17)27-4)14-21(26)23-19-9-7-18(8-10-19)22-16(3)25/h6-12H,5,13-14H2,1-4H3,(H,22,25)(H,23,26)/p+1