1-(5-chloranylthiophen-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione

Systemtic Name: 1-(5-chloranylthiophen-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Openeye Name: 1-(5-chloro-2-thienyl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione CAS Name: 1-(5-chloro-2-thiophenyl)-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butane-1,4-dione IUPAC Name: 1-(5-chlorothiophen-2-yl)-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butane-1,4-dione Traditional Name: 1-(5-chloro-2-thienyl)-4-(4-pyridin-1-ium-2-ylpiperazino)butane-1,4-dione Formula: C17H19ClN3O2S+ MolecularWeight: 364.86966

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C17H18ClN3O2S/c18-15-6-5-14(24-15)13(22)4-7-17(23)21-11-9-20(10-12-21)16-3-1-2-8-19-16/h1-3,5-6,8H,4,7,9-12H2/p+1