5-piperazin-4-ium-1-ylsulfonylisoquinoline

Systemtic Name: 5-piperazin-4-ium-1-ylsulfonylisoquinoline Openeye Name: 5-piperazin-4-ium-1-ylsulfonylisoquinoline CAS Name: 5-(1-piperazin-4-iumylsulfonyl)isoquinoline IUPAC Name: 5-piperazin-4-ium-1-ylsulfonylisoquinoline Traditional Name: 5-piperazin-4-ium-1-ylsulfonylisoquinoline Formula: C13H16N3O2S+ MolecularWeight: 278.35004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1CN(CC[NH2+]1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C13H15N3O2S/c17-19(18,16-8-6-14-7-9-16)13-3-1-2-11-10-15-5-4-12(11)13/h1-5,10,14H,6-9H2/p+1