[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium

Systemtic Name: [2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]azanium Openeye Name: [2-(4-ethoxycarbonylanilino)-2-oxo-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium CAS Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]ammonium IUPAC Name: [2-(4-ethoxycarbonylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium Traditional Name: [2-(4-carbethoxyanilino)-2-keto-ethyl]-[(1S)-2-methyl-1-phenyl-propyl]ammonium Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+]C(C2=CC=CC=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[NH2+][C@H](C2=CC=CC=C2)C(C)C

InChI

InChI=1S/C21H26N2O3/c1-4-26-21(25)17-10-12-18(13-11-17)23-19(24)14-22-20(15(2)3)16-8-6-5-7-9-16/h5-13,15,20,22H,4,14H2,1-3H3,(H,23,24)/p+1/t20-/m0/s1