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

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

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H26N2O3S/c1-27(25,26)16-17-8-10-18(11-9-17)21(24)22-14-19-6-2-3-7-20(19)15-23-12-4-5-13-23/h2-3,6-11H,4-5,12-16H2,1H3,(H,22,24)/p+1