1-[4-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]thiophen-2-yl]ethanone

Systemtic Name: 1-[4-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]thiophen-2-yl]ethanone Openeye Name: 1-[4-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]-2-thienyl]ethanone CAS Name: 1-[4-[[[(3R)-1-methyl-3-piperidin-1-iumyl]methyl-phenethylamino]methyl]-2-thiophenyl]ethanone IUPAC Name: 1-[4-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethylamino]methyl]thiophen-2-yl]ethanone Traditional Name: 1-[4-[[[(3R)-1-methylpiperidin-1-ium-3-yl]methyl-phenethyl-amino]methyl]-2-thienyl]ethanone Formula: C22H31N2OS+ MolecularWeight: 371.55934

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CS1)CN(CCC2=CC=CC=C2)CC3CCC[NH+](C3)C

Isomeric SMILES

CC(=O)C1=CC(=CS1)CN(CCC2=CC=CC=C2)C[C@H]3CCC[NH+](C3)C

InChI

InChI=1S/C22H30N2OS/c1-18(25)22-13-21(17-26-22)16-24(12-10-19-7-4-3-5-8-19)15-20-9-6-11-23(2)14-20/h3-5,7-8,13,17,20H,6,9-12,14-16H2,1-2H3/p+1/t20-/m0/s1