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

Systemtic Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-pyridin-3-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-(3-pyridyl)methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-(3-pyridinyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-3-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-(3-pyridyl)methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C28H32N4O2S+2 MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N4O2S/c1-20-21(2)35-28(30-27(33)24-11-7-17-34-24)25(20)26(23-10-6-12-29-18-23)32-15-13-31(14-16-32)19-22-8-4-3-5-9-22/h3-12,17-18,26H,13-16,19H2,1-2H3,(H,30,33)/p+2