2-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide

Systemtic Name: 2-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazin-1-iumyl]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-1-ium-1-yl]-N-(2-cyanophenyl)acetamide Formula: C22H22ClN4OS+ MolecularWeight: 425.95428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C#N)CC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2C#N)CC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C22H21ClN4OS/c23-22-17-6-2-4-8-19(17)29-20(22)14-26-9-11-27(12-10-26)15-21(28)25-18-7-3-1-5-16(18)13-24/h1-8H,9-12,14-15H2,(H,25,28)/p+1