1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-(4-sulfamoylphenyl)urea

Systemtic Name: 1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-(4-sulfamoylphenyl)urea Openeye Name: 1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-(4-sulfamoylphenyl)urea CAS Name: 1-[[2-(1-pyrrolidinyl)-4-pyridin-1-iumyl]methyl]-3-(4-sulfamoylphenyl)urea IUPAC Name: 1-[(2-pyrrolidin-1-ylpyridin-1-ium-4-yl)methyl]-3-(4-sulfamoylphenyl)urea Traditional Name: 1-[(2-pyrrolidinopyridin-1-ium-4-yl)methyl]-3-(4-sulfamoylphenyl)urea Formula: C17H22N5O3S+ MolecularWeight: 376.45328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCN(C1)C2=[NH+]C=CC(=C2)CNC(=O)NC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C17H21N5O3S/c18-26(24,25)15-5-3-14(4-6-15)21-17(23)20-12-13-7-8-19-16(11-13)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H2,18,24,25)(H2,20,21,23)/p+1