N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]thiophen-2-yl]furan-2-carboxamide

Systemtic Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperidin-1-ium-1-yl]-pyridin-1-ium-3-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-3-yl-methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)-1-piperidin-1-iumyl]-(3-pyridin-1-iumyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-3-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)-pyridin-1-ium-3-yl-methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C29H33N3O2S+2 MolecularWeight: 487.65622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=C[NH+]=CC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CO5)C

Isomeric SMILES

CC1=C(SC(=C1C(C2=C[NH+]=CC=C2)[NH+]3CCC(CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CO5)C

InChI

InChI=1S/C29H31N3O2S/c1-20-21(2)35-29(31-28(33)25-11-7-17-34-25)26(20)27(24-10-6-14-30-19-24)32-15-12-23(13-16-32)18-22-8-4-3-5-9-22/h3-11,14,17,19,23,27H,12-13,15-16,18H2,1-2H3,(H,31,33)/p+2