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

Systemtic Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]-pyridin-1-ium-2-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5-dimethyl-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-(2-pyridin-1-iumyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-ylmethyl]-4,5-dimethylthiophen-2-yl]furan-2-carboxamide Traditional Name: N-[3-[(4-benzylpiperazine-1,4-diium-1-yl)-pyridin-1-ium-2-yl-methyl]-4,5-dimethyl-2-thienyl]-2-furamide Formula: C28H33N4O2S+3 MolecularWeight: 489.65222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=[NH+]2)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)NC(=O)C5=CC=CO5)C

Isomeric SMILES

CC1=C(SC(=C1C(C2=CC=CC=[NH+]2)[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)24-12-8-18-34-24)25(20)26(23-11-6-7-13-29-23)32-16-14-31(15-17-32)19-22-9-4-3-5-10-22/h3-13,18,26H,14-17,19H2,1-2H3,(H,30,33)/p+3