dimethyl-[(1S)-2-[4-(2-methylphenoxy)butanoylamino]-1-thiophen-3-yl-ethyl]azanium

Systemtic Name: dimethyl-[(1S)-2-[4-(2-methylphenoxy)butanoylamino]-1-thiophen-3-yl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[4-(2-methylphenoxy)butanoylamino]-1-(3-thienyl)ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[4-(2-methylphenoxy)-1-oxobutyl]amino]-1-(3-thiophenyl)ethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[4-(2-methylphenoxy)butanoylamino]-1-thiophen-3-ylethyl]azanium Traditional Name: dimethyl-[(1S)-2-[4-(2-methylphenoxy)butanoylamino]-1-(3-thienyl)ethyl]ammonium Formula: C19H27N2O2S+ MolecularWeight: 347.49488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(=O)NCC(C2=CSC=C2)[NH+](C)C

Isomeric SMILES

CC1=CC=CC=C1OCCCC(=O)NC[C@H](C2=CSC=C2)[NH+](C)C

InChI

InChI=1S/C19H26N2O2S/c1-15-7-4-5-8-18(15)23-11-6-9-19(22)20-13-17(21(2)3)16-10-12-24-14-16/h4-5,7-8,10,12,14,17H,6,9,11,13H2,1-3H3,(H,20,22)/p+1/t17-/m1/s1