4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide

Systemtic Name: 4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Openeye Name: 4-[(4-chlorophenyl)methyl-methylsulfonyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide CAS Name: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1-methyl-4-piperidin-1-iumylidene)amino]benzamide IUPAC Name: 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Traditional Name: 4-[(4-chlorobenzyl)-mesyl-amino]-N-[(1-methylpiperidin-1-ium-4-ylidene)amino]benzamide Formula: C21H26ClN4O3S+ MolecularWeight: 449.97414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C)CC1

Isomeric SMILES

C[NH+]1CCC(=NNC(=O)C2=CC=C(C=C2)N(CC3=CC=C(C=C3)Cl)S(=O)(=O)C)CC1

InChI

InChI=1S/C21H25ClN4O3S/c1-25-13-11-19(12-14-25)23-24-21(27)17-5-9-20(10-6-17)26(30(2,28)29)15-16-3-7-18(22)8-4-16/h3-10H,11-15H2,1-2H3,(H,24,27)/p+1