methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]-(2-phenoxyethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]-(2-phenoxyethyl)azanium Openeye Name: [2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: methyl-[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]-(2-phenoxyethyl)ammonium IUPAC Name: methyl-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]-(2-phenoxyethyl)azanium Traditional Name: [2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C21H27N2O4+ MolecularWeight: 371.45008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CCOC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)C[NH+](C)CCOC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O4/c1-16(2)27-21(25)17-9-11-18(12-10-17)22-20(24)15-23(3)13-14-26-19-7-5-4-6-8-19/h4-12,16H,13-15H2,1-3H3,(H,22,24)/p+1