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

Systemtic Name: 1-chloranyl-5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline Openeye Name: 1-chloro-5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline CAS Name: 1-chloro-5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline IUPAC Name: 1-chloro-5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline Traditional Name: 1-chloro-5-(1,4-diazepan-4-ium-1-ylsulfonyl)isoquinoline Formula: C14H17ClN3O2S+ MolecularWeight: 326.82168

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

Isomeric SMILES

C1C[NH2+]CCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3Cl

InChI

InChI=1S/C14H16ClN3O2S/c15-14-12-3-1-4-13(11(12)5-7-17-14)21(19,20)18-9-2-6-16-8-10-18/h1,3-5,7,16H,2,6,8-10H2/p+1