N-[1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]pyridine-3-carboxamide CAS Name: N-[1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]nicotinamide Formula: C18H26N4OS+2 MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=CS1)[NH+]2CC[NH+](CC2)C)NC(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C(C1=CC=CS1)[NH+]2CC[NH+](CC2)C)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-14(20-18(23)15-5-3-7-19-13-15)17(16-6-4-12-24-16)22-10-8-21(2)9-11-22/h3-7,12-14,17H,8-11H2,1-2H3,(H,20,23)/p+2