8-chloranyl-5-piperazin-4-ium-1-ylsulfonyl-isoquinoline

Systemtic Name: 8-chloranyl-5-piperazin-4-ium-1-ylsulfonyl-isoquinoline Openeye Name: 8-chloro-5-piperazin-4-ium-1-ylsulfonyl-isoquinoline CAS Name: 8-chloro-5-(1-piperazin-4-iumylsulfonyl)isoquinoline IUPAC Name: 8-chloro-5-piperazin-4-ium-1-ylsulfonylisoquinoline Traditional Name: 8-chloro-5-piperazin-4-ium-1-ylsulfonyl-isoquinoline Formula: C13H15ClN3O2S+ MolecularWeight: 312.7951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=C3C=CN=CC3=C(C=C2)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=C3C=CN=CC3=C(C=C2)Cl

InChI

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