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

Systemtic Name: N-[4,5-dimethyl-3-[phenyl-[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)-phenyl-methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[phenyl-[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)-phenylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-benzylpiperidin-1-ium-1-yl)-phenyl-methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C30H33N2O2S+ MolecularWeight: 485.66022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H32N2O2S/c1-21-22(2)35-30(31-29(33)26-14-9-19-34-26)27(21)28(25-12-7-4-8-13-25)32-17-15-24(16-18-32)20-23-10-5-3-6-11-23/h3-14,19,24,28H,15-18,20H2,1-2H3,(H,31,33)/p+1