4-bromanyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-bromobenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-4-bromo-benzenesulfonamide Formula: C18H21BrN3O2S+ MolecularWeight: 423.34724

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

Isomeric SMILES

C1C[NH+](CCC1=NNS(=O)(=O)C2=CC=C(C=C2)Br)CC3=CC=CC=C3

InChI

InChI=1S/C18H20BrN3O2S/c19-16-6-8-18(9-7-16)25(23,24)21-20-17-10-12-22(13-11-17)14-15-4-2-1-3-5-15/h1-9,21H,10-14H2/p+1