3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide

Systemtic Name: 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Openeye Name: 3-(o-tolylmethylsulfonyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide CAS Name: 3-[(2-methylphenyl)methylsulfonyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[(2-methylphenyl)methylsulfonyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)propanamide Traditional Name: 3-(2-methylbenzyl)sulfonyl-N-(2-pyrrolidin-1-ium-1-ylethyl)propionamide Formula: C17H27N2O3S+ MolecularWeight: 339.47288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCC[NH+]2CCCC2

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCC[NH+]2CCCC2

InChI

InChI=1S/C17H26N2O3S/c1-15-6-2-3-7-16(15)14-23(21,22)13-8-17(20)18-9-12-19-10-4-5-11-19/h2-3,6-7H,4-5,8-14H2,1H3,(H,18,20)/p+1