2-[4-chloranyl-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-isoquinolin-1-yl]guanidine

Systemtic Name: 2-[4-chloranyl-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-isoquinolin-1-yl]guanidine Openeye Name: 2-[4-chloro-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-1-isoquinolyl]guanidine CAS Name: 2-[4-chloro-7-[(1-methyl-1-piperazin-1-iumyl)sulfonyl]-1-isoquinolinyl]guanidine IUPAC Name: 2-[4-chloro-7-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinolin-1-yl]guanidine Traditional Name: 2-[4-chloro-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-1-isoquinolyl]guanidine Formula: C15H20ClN6O2S+ MolecularWeight: 383.8763

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

Isomeric SMILES

C[N+]1(CCNCC1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3N=C(N)N)Cl

InChI

InChI=1S/C15H20ClN6O2S/c1-22(6-4-19-5-7-22)25(23,24)10-2-3-11-12(8-10)14(21-15(17)18)20-9-13(11)16/h2-3,8-9,19H,4-7H2,1H3,(H4,17,18,20,21)/q+1