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

Systemtic Name: 2-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 2-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-[(5-chloro-2-thienyl)methyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C17H19ClN3S+ MolecularWeight: 332.87086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C#N)CC3=CC=C(S3)Cl

InChI

InChI=1S/C17H18ClN3S/c18-17-6-5-16(22-17)13-21-9-7-20(8-10-21)12-15-4-2-1-3-14(15)11-19/h1-6H,7-10,12-13H2/p+1