8-chloranyl-4-piperazin-4-ium-1-ylsulfonyl-isoquinolin-2-ium dichloride

Systemtic Name: 8-chloranyl-4-piperazin-4-ium-1-ylsulfonyl-isoquinolin-2-ium dichloride Openeye Name: 8-chloro-4-piperazin-4-ium-1-ylsulfonyl-isoquinolin-2-ium dichloride CAS Name: 8-chloro-4-(1-piperazin-4-iumylsulfonyl)isoquinolin-2-ium dichloride IUPAC Name: 8-chloro-4-piperazin-4-ium-1-ylsulfonylisoquinolin-2-ium dichloride Traditional Name: 8-chloro-4-piperazin-4-ium-1-ylsulfonyl-isoquinolin-2-ium dichloride Formula: C13H16Cl3N3O2S MolecularWeight: 384.70904

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=C3C=CC=C(C3=C[NH+]=C2)Cl.[Cl-].[Cl-]

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=C3C=CC=C(C3=C[NH+]=C2)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C13H14ClN3O2S.2ClH/c14-12-3-1-2-10-11(12)8-16-9-13(10)20(18,19)17-6-4-15-5-7-17;;/h1-3,8-9,15H,4-7H2;2*1H