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

Systemtic Name: 8-chloranyl-4-piperazin-4-ium-1-ylsulfonyl-isoquinoline Openeye Name: 8-chloro-4-piperazin-4-ium-1-ylsulfonyl-isoquinoline CAS Name: 8-chloro-4-(1-piperazin-4-iumylsulfonyl)isoquinoline IUPAC Name: 8-chloro-4-piperazin-4-ium-1-ylsulfonylisoquinoline Traditional Name: 8-chloro-4-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=CC=C(C3=CN=C2)Cl

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O2S/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/p+1