2-chloranyl-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-chloranyl-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-chloro-6-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-chloro-6-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-chloro-6-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-chloro-6-[4-(3-thenyl)piperazin-4-ium-1-yl]benzonitrile Formula: C16H17ClN3S+ MolecularWeight: 318.84428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3S/c17-15-2-1-3-16(14(15)10-18)20-7-5-19(6-8-20)11-13-4-9-21-12-13/h1-4,9,12H,5-8,11H2/p+1