N-(2,6-diethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2,6-diethylphenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2,6-diethylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2,6-diethylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(2,6-diethylphenyl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C21H31N3OS+2 MolecularWeight: 373.55534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C21H29N3OS/c1-3-17-7-5-8-18(4-2)21(17)22-20(25)16-24-12-10-23(11-13-24)15-19-9-6-14-26-19/h5-9,14H,3-4,10-13,15-16H2,1-2H3,(H,22,25)/p+2