5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline hydrochloride

Systemtic Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline hydrochloride Openeye Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline hydrochloride CAS Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynylisoquinoline hydrochloride IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynylisoquinoline hydrochloride Traditional Name: 5-(1,4-diazepan-1-ylsulfonyl)-4-prop-1-ynyl-isoquinoline hydrochloride Formula: C17H20ClN3O2S MolecularWeight: 365.8776

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3.Cl

Isomeric SMILES

CC#CC1=CN=CC2=C1C(=CC=C2)S(=O)(=O)N3CCCNCC3.Cl

InChI

InChI=1S/C17H19N3O2S.ClH/c1-2-5-14-12-19-13-15-6-3-7-16(17(14)15)23(21,22)20-10-4-8-18-9-11-20;/h3,6-7,12-13,18H,4,8-11H2,1H3;1H