2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide

Systemtic Name: 2-[(2-methylphenyl)-methylsulfonyl-amino]-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]ethanamide Openeye Name: 2-(2-methyl-N-methylsulfonyl-anilino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide CAS Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]acetamide IUPAC Name: 2-(2-methyl-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]acetamide Traditional Name: 2-(N-mesyl-2-methyl-anilino)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acetamide Formula: C23H32N3O3S+ MolecularWeight: 430.58348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3)S(=O)(=O)C

InChI

InChI=1S/C23H31N3O3S/c1-19-8-4-5-9-22(19)26(30(2,28)29)18-23(27)24-16-20-10-12-21(13-11-20)17-25-14-6-3-7-15-25/h4-5,8-13H,3,6-7,14-18H2,1-2H3,(H,24,27)/p+1