5-(3,6-diazabicyclo[3.2.1]octan-6-ylsulfonyl)-4-methyl-isoquinoline hydrochloride

Systemtic Name: 5-(3,6-diazabicyclo[3.2.1]octan-6-ylsulfonyl)-4-methyl-isoquinoline hydrochloride Openeye Name: 5-(3,6-diazabicyclo[3.2.1]octan-6-ylsulfonyl)-4-methyl-isoquinoline hydrochloride CAS Name: 5-(3,6-diazabicyclo[3.2.1]octan-6-ylsulfonyl)-4-methylisoquinoline hydrochloride IUPAC Name: 5-(3,6-diazabicyclo[3.2.1]octan-6-ylsulfonyl)-4-methylisoquinoline hydrochloride Traditional Name: 5-(3,6-diazabicyclo[3.2.1]octan-6-ylsulfonyl)-4-methyl-isoquinoline hydrochloride Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CC3CNC4.Cl

Isomeric SMILES

CC1=C2C(=CN=C1)C=CC=C2S(=O)(=O)N3CC4CC3CNC4.Cl

InChI

InChI=1S/C16H19N3O2S.ClH/c1-11-6-17-8-13-3-2-4-15(16(11)13)22(20,21)19-10-12-5-14(19)9-18-7-12;/h2-4,6,8,12,14,18H,5,7,9-10H2,1H3;1H