2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide

Systemtic Name: 2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)ethanamide Openeye Name: 2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide CAS Name: 2-[4-[[5-(2-chlorophenyl)-2-thiophenyl]methyl]-1-piperazin-1-iumyl]-N-(1,3,5-trimethyl-4-pyrazolyl)acetamide IUPAC Name: 2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Traditional Name: 2-[4-[[5-(2-chlorophenyl)-2-thienyl]methyl]piperazin-1-ium-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide Formula: C23H29ClN5OS+ MolecularWeight: 459.02726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=NN1C)C)NC(=O)C[NH+]2CCN(CC2)CC3=CC=C(S3)C4=CC=CC=C4Cl

InChI

InChI=1S/C23H28ClN5OS/c1-16-23(17(2)27(3)26-16)25-22(30)15-29-12-10-28(11-13-29)14-18-8-9-21(31-18)19-6-4-5-7-20(19)24/h4-9H,10-15H2,1-3H3,(H,25,30)/p+1