5-(1,4-diazepan-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methoxyisoquinoline dihydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methoxyisoquinoline dihydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-methoxy-isoquinoline dihydrochloride Formula: C15H21Cl2N3O3S MolecularWeight: 394.31654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3.Cl.Cl

Isomeric SMILES

COC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CCCNCC3.Cl.Cl

InChI

InChI=1S/C15H19N3O3S.2ClH/c1-21-13-11-17-10-12-4-2-5-14(15(12)13)22(19,20)18-8-3-6-16-7-9-18;;/h2,4-5,10-11,16H,3,6-9H2,1H3;2*1H