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

Systemtic Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide Openeye Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide CAS Name: N-ethyl-N-[[1-(1-methyl-4-piperidin-1-iumyl)-4-piperidin-1-iumyl]methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide IUPAC Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide Traditional Name: N-ethyl-N-[[1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-4-yl]methyl]-4,5,6,7-tetrahydroisobenzothiophene-1-carboxamide Formula: C23H39N3OS+2 MolecularWeight: 405.64026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=C4CCCCC4=CS3

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CC[NH+](CC2)C)C(=O)C3=C4CCCCC4=CS3

InChI

InChI=1S/C23H37N3OS/c1-3-25(23(27)22-21-7-5-4-6-19(21)17-28-22)16-18-8-14-26(15-9-18)20-10-12-24(2)13-11-20/h17-18,20H,3-16H2,1-2H3/p+2