[(1R)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[4-(4-chloranyl-2-methyl-phenoxy)butanoylamino]-1-thiophen-2-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[4-(4-chloro-2-methylphenoxy)-1-oxobutyl]amino]-1-thiophen-2-ylethyl]-dimethylammonium IUPAC Name: [(1R)-2-[4-(4-chloro-2-methylphenoxy)butanoylamino]-1-thiophen-2-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[4-(4-chloro-2-methyl-phenoxy)butanoylamino]-1-(2-thienyl)ethyl]-dimethyl-ammonium Formula: C19H26ClN2O2S+ MolecularWeight: 381.93994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NCC(C2=CC=CS2)[NH+](C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)OCCCC(=O)NC[C@H](C2=CC=CS2)[NH+](C)C

InChI

InChI=1S/C19H25ClN2O2S/c1-14-12-15(20)8-9-17(14)24-10-4-7-19(23)21-13-16(22(2)3)18-6-5-11-25-18/h5-6,8-9,11-12,16H,4,7,10,13H2,1-3H3,(H,21,23)/p+1/t16-/m1/s1