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

Systemtic Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(S)-(4-methyl-1-piperazin-4-iumyl)-(2-pyridinyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-ylmethyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-2-thienyl]-2-furamide Formula: C22H27N4O2S+ MolecularWeight: 411.54038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(C2=CC=CC=N2)N3CC[NH+](CC3)C)NC(=O)C4=CC=CO4)C

Isomeric SMILES

CC1=C(SC(=C1[C@@H](C2=CC=CC=N2)N3CC[NH+](CC3)C)NC(=O)C4=CC=CO4)C

InChI

InChI=1S/C22H26N4O2S/c1-15-16(2)29-22(24-21(27)18-8-6-14-28-18)19(15)20(17-7-4-5-9-23-17)26-12-10-25(3)11-13-26/h4-9,14,20H,10-13H2,1-3H3,(H,24,27)/p+1/t20-/m1/s1