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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3S2)Cl)C(=O)C4=CC=CC=N4

InChI

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