1-[(6-chloranylpyridin-3-yl)methyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(6-chloranylpyridin-3-yl)methyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium CAS Name: 1-[(6-chloro-3-pyridinyl)methyl]-4-[(1-methyl-3-pyrrolyl)sulfonyl]piperazin-1-ium IUPAC Name: 1-[(6-chloropyridin-3-yl)methyl]-4-(1-methylpyrrol-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[(6-chloro-3-pyridyl)methyl]-4-(1-methylpyrrol-3-yl)sulfonyl-piperazin-1-ium Formula: C15H20ClN4O2S+ MolecularWeight: 355.8629

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CN=C(C=C3)Cl

Isomeric SMILES

CN1C=CC(=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C15H19ClN4O2S/c1-18-5-4-14(12-18)23(21,22)20-8-6-19(7-9-20)11-13-2-3-15(16)17-10-13/h2-5,10,12H,6-9,11H2,1H3/p+1