N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide Openeye Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzothiophene-2-carboxamide CAS Name: N-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-1-benzothiophene-2-carboxamide IUPAC Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-1-benzothiophene-2-carboxamide Traditional Name: N-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]benzothiophene-2-carboxamide Formula: C23H27N2OS+ MolecularWeight: 379.53828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4S3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCC2=CC=CC=C2)C(=O)C3=CC4=CC=CC=C4S3

InChI

InChI=1S/C23H26N2OS/c1-24(23(26)22-16-19-10-5-6-12-21(19)27-22)20-11-7-14-25(17-20)15-13-18-8-3-2-4-9-18/h2-6,8-10,12,16,20H,7,11,13-15,17H2,1H3/p+1/t20-/m0/s1