(3-chloranyl-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C18H17ClN3OS+ MolecularWeight: 358.86508

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C18H16ClN3OS/c19-16-13-5-1-2-6-14(13)24-17(16)18(23)22-11-9-21(10-12-22)15-7-3-4-8-20-15/h1-8H,9-12H2/p+1