4-[[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-chloranyl-1-benzothiophen-2-yl)carbonyl]piperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-chloro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-chloro-1-benzothiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-chlorobenzothiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C21H19ClN3OS+ MolecularWeight: 396.91306

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H18ClN3OS/c22-19-17-3-1-2-4-18(17)27-20(19)21(26)25-11-9-24(10-12-25)14-16-7-5-15(13-23)6-8-16/h1-8H,9-12,14H2/p+1