N-[1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]butanamide

Systemtic Name: N-[1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-yl-propan-2-yl]butanamide Openeye Name: N-[1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: N-[1-(4-methyl-1-piperazine-1,4-diiumyl)-1-thiophen-2-ylpropan-2-yl]butanamide IUPAC Name: N-[1-(4-methylpiperazine-1,4-diium-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide Traditional Name: N-[1-methyl-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(2-thienyl)ethyl]butyramide Formula: C16H29N3OS+2 MolecularWeight: 311.48596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3OS/c1-4-6-15(20)17-13(2)16(14-7-5-12-21-14)19-10-8-18(3)9-11-19/h5,7,12-13,16H,4,6,8-11H2,1-3H3,(H,17,20)/p+2