6-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile

Systemtic Name: 6-[4-[(3-chloranyl-1-benzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Openeye Name: 6-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile CAS Name: 6-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]-1-piperazin-4-iumyl]-3-pyridinecarbonitrile IUPAC Name: 6-[4-[(3-chloro-1-benzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]pyridine-3-carbonitrile Traditional Name: 6-[4-[(3-chlorobenzothiophen-2-yl)methyl]piperazin-4-ium-1-yl]nicotinonitrile Formula: C19H18ClN4S+ MolecularWeight: 369.89102

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3S2)Cl)C4=NC=C(C=C4)C#N

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C3=CC=CC=C3S2)Cl)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C19H17ClN4S/c20-19-15-3-1-2-4-16(15)25-17(19)13-23-7-9-24(10-8-23)18-6-5-14(11-21)12-22-18/h1-6,12H,7-10,13H2/p+1