N-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]butanamide

Systemtic Name: N-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-yl-propan-2-yl]butanamide Openeye Name: N-[(1S,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]butanamide CAS Name: N-[(1S,2S)-1-(4-methyl-1-piperazin-4-iumyl)-1-thiophen-2-ylpropan-2-yl]butanamide IUPAC Name: N-[(1S,2S)-1-(4-methylpiperazin-4-ium-1-yl)-1-thiophen-2-ylpropan-2-yl]butanamide Traditional Name: N-[(1S,2S)-1-methyl-2-(4-methylpiperazin-4-ium-1-yl)-2-(2-thienyl)ethyl]butyramide Formula: C16H28N3OS+ MolecularWeight: 310.47802

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C)C(C1=CC=CS1)N2CC[NH+](CC2)C

Isomeric SMILES

CCCC(=O)N[C@@H](C)[C@@H](C1=CC=CS1)N2CC[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+1/t13-,16-/m0/s1