2,5-dimethyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]benzenesulfonamide

Systemtic Name: 2,5-dimethyl-N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]benzenesulfonamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2,5-dimethyl-benzenesulfonamide CAS Name: 2,5-dimethyl-N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]benzenesulfonamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2,5-dimethylbenzenesulfonamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2,5-dimethyl-benzenesulfonamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NN=C2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S/c1-16-8-9-17(2)20(14-16)26(24,25)22-21-19-10-12-23(13-11-19)15-18-6-4-3-5-7-18/h3-9,14,22H,10-13,15H2,1-2H3/p+1