2-[4-chloranyl-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-isoquinolin-1-yl]guanidine hydrochloride

Systemtic Name: 2-[4-chloranyl-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-isoquinolin-1-yl]guanidine hydrochloride Openeye Name: 2-[4-chloro-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonyl-1-isoquinolyl]guanidine hydrochloride CAS Name: 2-[4-chloro-7-[[2-(hydroxymethyl)-1-pyrrolidinyl]sulfonyl]-1-isoquinolinyl]guanidine hydrochloride IUPAC Name: 2-[4-chloro-7-[2-(hydroxymethyl)pyrrolidin-1-yl]sulfonylisoquinolin-1-yl]guanidine hydrochloride Traditional Name: 2-[4-chloro-7-(2-methylolpyrrolidino)sulfonyl-1-isoquinolyl]guanidine hydrochloride Formula: C15H19Cl2N5O3S MolecularWeight: 420.31406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)CO.Cl

Isomeric SMILES

C1CC(N(C1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl)CO.Cl

InChI

InChI=1S/C15H18ClN5O3S.ClH/c16-13-7-19-14(20-15(17)18)12-6-10(3-4-11(12)13)25(23,24)21-5-1-2-9(21)8-22;/h3-4,6-7,9,22H,1-2,5,8H2,(H4,17,18,19,20);1H