2-methyl-5-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 2-methyl-5-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 2-methyl-5-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 2-methyl-5-methylsulfonyl-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 2-methyl-5-methylsulfonyl-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 5-mesyl-2-methyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2O3S+ MolecularWeight: 387.51568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O3S/c1-16-5-10-19(27(2,25)26)13-20(16)21(24)22-14-17-6-8-18(9-7-17)15-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,24)/p+1