N-(2,6-dimethylphenyl)-2-[4-(5-methyl-4-propyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-(5-methyl-4-propyl-thiophen-2-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-(5-methyl-4-propyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[(5-methyl-4-propyl-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-(5-methyl-4-propylthiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-(5-methyl-4-propyl-thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC=C3C)C)C

InChI

InChI=1S/C23H31N3O2S/c1-5-7-19-14-20(29-18(19)4)23(28)26-12-10-25(11-13-26)15-21(27)24-22-16(2)8-6-9-17(22)3/h6,8-9,14H,5,7,10-13,15H2,1-4H3,(H,24,27)/p+1