1,4-bis(chloranyl)-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-isoquinoline

Systemtic Name: 1,4-bis(chloranyl)-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-isoquinoline Openeye Name: 1,4-dichloro-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-isoquinoline CAS Name: 1,4-dichloro-7-[(1-methyl-1-piperazin-1-iumyl)sulfonyl]isoquinoline IUPAC Name: 1,4-dichloro-7-(1-methylpiperazin-1-ium-1-yl)sulfonylisoquinoline Traditional Name: 1,4-dichloro-7-(1-methylpiperazin-1-ium-1-yl)sulfonyl-isoquinoline Formula: C14H16Cl2N3O2S+ MolecularWeight: 361.26674

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCNCC1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

Isomeric SMILES

C[N+]1(CCNCC1)S(=O)(=O)C2=CC3=C(C=C2)C(=CN=C3Cl)Cl

InChI

InChI=1S/C14H16Cl2N3O2S/c1-19(6-4-17-5-7-19)22(20,21)10-2-3-11-12(8-10)14(16)18-9-13(11)15/h2-3,8-9,17H,4-7H2,1H3/q+1