4-(4-bromophenyl)sulfonyl-N-[6-(dimethylamino)pyridin-1-ium-3-yl]piperazine-1-carboxamide

Systemtic Name: 4-(4-bromophenyl)sulfonyl-N-[6-(dimethylamino)pyridin-1-ium-3-yl]piperazine-1-carboxamide Openeye Name: 4-(4-bromophenyl)sulfonyl-N-[6-(dimethylamino)pyridin-1-ium-3-yl]piperazine-1-carboxamide CAS Name: 4-(4-bromophenyl)sulfonyl-N-[6-(dimethylamino)-3-pyridin-1-iumyl]-1-piperazinecarboxamide IUPAC Name: 4-(4-bromophenyl)sulfonyl-N-[6-(dimethylamino)pyridin-1-ium-3-yl]piperazine-1-carboxamide Traditional Name: 4-brosyl-N-[6-(dimethylamino)pyridin-1-ium-3-yl]piperazine-1-carboxamide Formula: C18H23BrN5O3S+ MolecularWeight: 469.37592

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=[NH+]C=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN(C)C1=[NH+]C=C(C=C1)NC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H22BrN5O3S/c1-22(2)17-8-5-15(13-20-17)21-18(25)23-9-11-24(12-10-23)28(26,27)16-6-3-14(19)4-7-16/h3-8,13H,9-12H2,1-2H3,(H,21,25)/p+1