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

Systemtic Name: N-(2-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(2-isopropylphenyl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(2-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(2-propan-2-ylphenyl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-o-cumenyl-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]acetamide Formula: C20H29N3OS+2 MolecularWeight: 359.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CS3

InChI

InChI=1S/C20H27N3OS/c1-16(2)18-7-3-4-8-19(18)21-20(24)15-23-11-9-22(10-12-23)14-17-6-5-13-25-17/h3-8,13,16H,9-12,14-15H2,1-2H3,(H,21,24)/p+2