[(1R)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[[4-(4-ethoxyphenyl)-4-oxidanylidene-butanoyl]amino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[4-(4-ethoxyphenyl)-4-oxo-butanoyl]amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[4-(4-ethoxyphenyl)-1,4-dioxobutyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[4-(4-ethoxyphenyl)-4-oxobutanoyl]amino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[(4-keto-4-p-phenetyl-butanoyl)amino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C20H27N2O3S+ MolecularWeight: 375.50498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)CCC(=O)NC[C@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C20H26N2O3S/c1-4-25-16-9-7-15(8-10-16)18(23)11-12-20(24)21-14-17(22(2)3)19-6-5-13-26-19/h5-10,13,17H,4,11-12,14H2,1-3H3,(H,21,24)/p+1/t17-/m1/s1