(3-chloranyl-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C19H19ClN3OS+ MolecularWeight: 372.89166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3OS/c20-17-15-5-1-2-6-16(15)25-18(17)19(24)23-10-8-22(9-11-23)13-14-4-3-7-21-12-14/h1-7,12H,8-11,13H2/p+1