4-bromanyl-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide Openeye Name: 4-bromo-N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide CAS Name: 4-bromo-N-[(1-propan-2-yl-4-piperidin-1-iumylidene)amino]benzenesulfonamide IUPAC Name: 4-bromo-N-[(1-propan-2-ylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide Traditional Name: 4-bromo-N-[(1-isopropylpiperidin-1-ium-4-ylidene)amino]benzenesulfonamide Formula: C14H21BrN3O2S+ MolecularWeight: 375.30444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCC(=NNS(=O)(=O)C2=CC=C(C=C2)Br)CC1

Isomeric SMILES

CC(C)[NH+]1CCC(=NNS(=O)(=O)C2=CC=C(C=C2)Br)CC1

InChI

InChI=1S/C14H20BrN3O2S/c1-11(2)18-9-7-13(8-10-18)16-17-21(19,20)14-5-3-12(15)4-6-14/h3-6,11,17H,7-10H2,1-2H3/p+1