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

Systemtic Name: N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-4-ium-1-yl)-pyridin-3-yl-methyl]thiophen-2-yl]furan-2-carboxamide Openeye Name: N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-4-ium-1-yl)-(3-pyridyl)methyl]-2-thienyl]furan-2-carboxamide CAS Name: N-[4,5-dimethyl-3-[(R)-(4-methyl-1-piperazin-4-iumyl)-(3-pyridinyl)methyl]-2-thiophenyl]-2-furancarboxamide IUPAC Name: N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-4-ium-1-yl)-pyridin-3-ylmethyl]thiophen-2-yl]furan-2-carboxamide Traditional Name: N-[4,5-dimethyl-3-[(R)-(4-methylpiperazin-4-ium-1-yl)-(3-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=CN=CC=C2)N3CC[NH+](CC3)C)NC(=O)C4=CC=CO4)C

Isomeric SMILES

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

InChI

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