[(2S)-2-[2-[(4-ethoxyphenyl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(2S)-2-[2-[(4-ethoxyphenyl)carbonylamino]ethanoylamino]-2-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(2S)-2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(2S)-2-[[2-[[(4-ethoxyphenyl)-oxomethyl]amino]-1-oxoethyl]amino]-2-phenylethyl]-dimethylammonium IUPAC Name: [(2S)-2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-2-phenylethyl]-dimethylazanium Traditional Name: [(2S)-2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]-2-phenyl-ethyl]-dimethyl-ammonium Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NCC(=O)NC(C[NH+](C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NCC(=O)N[C@H](C[NH+](C)C)C2=CC=CC=C2

InChI

InChI=1S/C21H27N3O3/c1-4-27-18-12-10-17(11-13-18)21(26)22-14-20(25)23-19(15-24(2)3)16-8-6-5-7-9-16/h5-13,19H,4,14-15H2,1-3H3,(H,22,26)(H,23,25)/p+1/t19-/m1/s1