4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile CAS Name: 4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]benzonitrile IUPAC Name: 4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]benzonitrile Formula: C17H18N3OS+ MolecularWeight: 312.40932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)C(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H17N3OS/c18-12-14-3-5-15(6-4-14)17(21)20-9-7-19(8-10-20)13-16-2-1-11-22-16/h1-6,11H,7-10,13H2/p+1