4-methyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline dihydrochloride

Systemtic Name: 4-methyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline dihydrochloride Openeye Name: 4-methyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline dihydrochloride CAS Name: 4-methyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline dihydrochloride IUPAC Name: 4-methyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline dihydrochloride Traditional Name: 4-methyl-5-[[(2R)-2-methyl-1,4-diazepan-1-yl]sulfonyl]isoquinoline dihydrochloride Formula: C16H23Cl2N3O2S MolecularWeight: 392.34372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl.Cl

Isomeric SMILES

C[C@@H]1CNCCCN1S(=O)(=O)C2=CC=CC3=CN=CC(=C32)C.Cl.Cl

InChI

InChI=1S/C16H21N3O2S.2ClH/c1-12-9-18-11-14-5-3-6-15(16(12)14)22(20,21)19-8-4-7-17-10-13(19)2;;/h3,5-6,9,11,13,17H,4,7-8,10H2,1-2H3;2*1H/t13-;;/m1../s1