5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline

Systemtic Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline Openeye Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline CAS Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline IUPAC Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline Traditional Name: 5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline Formula: C14H18N3O2S+ MolecularWeight: 292.37662

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3

InChI

InChI=1S/C14H17N3O2S/c18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14/h1,3-5,7,11,15H,2,6,8-10H2/p+1