1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(4-sulfamoylphenyl)urea

Systemtic Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(4-sulfamoylphenyl)urea Openeye Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(4-sulfamoylphenyl)urea CAS Name: 1-[[6-(4-methyl-1-piperazinyl)-3-pyridin-1-iumyl]methyl]-3-(4-sulfamoylphenyl)urea IUPAC Name: 1-[[6-(4-methylpiperazin-1-yl)pyridin-1-ium-3-yl]methyl]-3-(4-sulfamoylphenyl)urea Traditional Name: 1-[[6-(4-methylpiperazino)pyridin-1-ium-3-yl]methyl]-3-(4-sulfamoylphenyl)urea Formula: C18H25N6O3S+ MolecularWeight: 405.4945

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C2=[NH+]C=C(C=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C18H24N6O3S/c1-23-8-10-24(11-9-23)17-7-2-14(12-20-17)13-21-18(25)22-15-3-5-16(6-4-15)28(19,26)27/h2-7,12H,8-11,13H2,1H3,(H2,19,26,27)(H2,21,22,25)/p+1