N-[[(3R)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide

Systemtic Name: N-[[(3R)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Openeye Name: N-[[(3R)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide CAS Name: N-[[(3R)-1-[[4-(1-pyrrolidin-1-iumylmethyl)-2-thiophenyl]methyl]-3-piperidin-1-iumyl]methyl]-3-pyridinecarboxamide IUPAC Name: N-[[(3R)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)thiophen-2-yl]methyl]piperidin-1-ium-3-yl]methyl]pyridine-3-carboxamide Traditional Name: N-[[(3R)-1-[[4-(pyrrolidin-1-ium-1-ylmethyl)-2-thienyl]methyl]piperidin-1-ium-3-yl]methyl]nicotinamide Formula: C22H32N4OS+2 MolecularWeight: 400.58068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=C2)C[NH+]3CCCC(C3)CNC(=O)C4=CN=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=C2)C[NH+]3CCC[C@@H](C3)CNC(=O)C4=CN=CC=C4

InChI

InChI=1S/C22H30N4OS/c27-22(20-6-3-7-23-13-20)24-12-18-5-4-10-26(14-18)16-21-11-19(17-28-21)15-25-8-1-2-9-25/h3,6-7,11,13,17-18H,1-2,4-5,8-10,12,14-16H2,(H,24,27)/p+2/t18-/m1/s1