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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-pyridin-3-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-(3-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-(3-pyridinyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-(3-pyridyl)methyl]-2-thienyl]-2-furamide Formula: C26H29N5O2S+2 MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5=CC=CO5)C

Isomeric SMILES

CC1=C(SC(=C1[C@H](C2=CN=CC=C2)[NH+]3CCN(CC3)C4=CC=CC=[NH+]4)NC(=O)C5=CC=CO5)C

InChI

InChI=1S/C26H27N5O2S/c1-18-19(2)34-26(29-25(32)21-8-6-16-33-21)23(18)24(20-7-5-10-27-17-20)31-14-12-30(13-15-31)22-9-3-4-11-28-22/h3-11,16-17,24H,12-15H2,1-2H3,(H,29,32)/p+2/t24-/m0/s1