[(1R)-2-[2-(4-butylphenyl)ethanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1R)-2-[2-(4-butylphenyl)ethanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1R)-2-[[2-(4-butylphenyl)acetyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1R)-2-[[2-(4-butylphenyl)-1-oxoethyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1R)-2-[[2-(4-butylphenyl)acetyl]amino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1R)-2-[[2-(4-butylphenyl)acetyl]amino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C20H29N2OS+ MolecularWeight: 345.52206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)CC(=O)NCC(C2=CSC=C2)[NH+](C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)CC(=O)NC[C@@H](C2=CSC=C2)[NH+](C)C

InChI

InChI=1S/C20H28N2OS/c1-4-5-6-16-7-9-17(10-8-16)13-20(23)21-14-19(22(2)3)18-11-12-24-15-18/h7-12,15,19H,4-6,13-14H2,1-3H3,(H,21,23)/p+1/t19-/m0/s1