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

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-[2-(2-pyridinyl)ethyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-(2-pyridin-2-ylethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-[2-(2-pyridyl)ethyl]piperazin-4-ium-1-yl]methanone Formula: C20H21ClN3OS+ MolecularWeight: 386.91824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C20H20ClN3OS/c21-18-16-6-1-2-7-17(16)26-19(18)20(25)24-13-11-23(12-14-24)10-8-15-5-3-4-9-22-15/h1-7,9H,8,10-14H2/p+1