3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: 3-(6-chloranylnaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: 3-[(6-chloro-2-naphthalenyl)sulfonyl]-1-(1-pyridin-4-yl-1-piperazin-1-iumyl)-1-propanone IUPAC Name: 3-(6-chloronaphthalen-2-yl)sulfonyl-1-(1-pyridin-4-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: 3-[(6-chloro-2-naphthyl)sulfonyl]-1-[1-(4-pyridyl)piperazin-1-ium-1-yl]propan-1-one Formula: C22H23ClN3O3S+ MolecularWeight: 444.95432

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(C2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

Isomeric SMILES

C1C[N+](CCN1)(C2=CC=NC=C2)C(=O)CCS(=O)(=O)C3=CC4=C(C=C3)C=C(C=C4)Cl

InChI

InChI=1S/C22H23ClN3O3S/c23-19-3-1-18-16-21(4-2-17(18)15-19)30(28,29)14-7-22(27)26(12-10-25-11-13-26)20-5-8-24-9-6-20/h1-6,8-9,15-16,25H,7,10-14H2/q+1