[(1S)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-thiophen-3-yl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[3-(4-tert-butylphenyl)-1-oxopropyl]amino]-1-(3-thiophenyl)ethyl]-dimethylammonium IUPAC Name: [(1S)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-thiophen-3-ylethyl]-dimethylazanium Traditional Name: [(1S)-2-[3-(4-tert-butylphenyl)propanoylamino]-1-(3-thienyl)ethyl]-dimethyl-ammonium Formula: C21H31N2OS+ MolecularWeight: 359.54864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2OS/c1-21(2,3)18-9-6-16(7-10-18)8-11-20(24)22-14-19(23(4)5)17-12-13-25-15-17/h6-7,9-10,12-13,15,19H,8,11,14H2,1-5H3,(H,22,24)/p+1/t19-/m1/s1