4-[[4-(5-chloranylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(5-chloranylthiophen-2-yl)carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(5-chlorothiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(5-chloro-2-thiophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(5-chlorothiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(5-chlorothiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H17ClN3OS+ MolecularWeight: 346.85438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H16ClN3OS/c18-16-6-5-15(23-16)17(22)21-9-7-20(8-10-21)12-14-3-1-13(11-19)2-4-14/h1-6H,7-10,12H2/p+1