3-[(4-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)propanamide

Systemtic Name: 3-[(4-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)propanamide Openeye Name: 3-(p-tolylmethylsulfonyl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)propanamide CAS Name: 3-[(4-methylphenyl)methylsulfonyl]-N-[3-(1-pyrrolidin-1-iumyl)propyl]propanamide IUPAC Name: 3-[(4-methylphenyl)methylsulfonyl]-N-(3-pyrrolidin-1-ium-1-ylpropyl)propanamide Traditional Name: 3-(4-methylbenzyl)sulfonyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)propionamide Formula: C18H29N2O3S+ MolecularWeight: 353.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCC[NH+]2CCCC2

Isomeric SMILES

CC1=CC=C(C=C1)CS(=O)(=O)CCC(=O)NCCC[NH+]2CCCC2

InChI

InChI=1S/C18H28N2O3S/c1-16-5-7-17(8-6-16)15-24(22,23)14-9-18(21)19-10-4-13-20-11-2-3-12-20/h5-8H,2-4,9-15H2,1H3,(H,19,21)/p+1