(5S)-5-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Systemtic Name: (5S)-5-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Openeye Name: (5S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide CAS Name: (5S)-5-ethyl-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide IUPAC Name: (5S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide Traditional Name: (5S)-N-(1-benzylpiperidin-1-ium-4-yl)-5-ethyl-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide Formula: C23H31N2OS+ MolecularWeight: 383.57004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC2=C(C1)C=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC[C@H]1CCC2=C(C1)C=C(S2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H30N2OS/c1-2-17-8-9-21-19(14-17)15-22(27-21)23(26)24-20-10-12-25(13-11-20)16-18-6-4-3-5-7-18/h3-7,15,17,20H,2,8-14,16H2,1H3,(H,24,26)/p+1/t17-/m0/s1