3-[(2-methylphenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide

Systemtic Name: 3-[(2-methylphenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Openeye Name: N-(3-morpholin-4-ium-4-ylpropyl)-3-(o-tolylmethylsulfonyl)propanamide CAS Name: 3-[(2-methylphenyl)methylsulfonyl]-N-[3-(4-morpholin-4-iumyl)propyl]propanamide IUPAC Name: 3-[(2-methylphenyl)methylsulfonyl]-N-(3-morpholin-4-ium-4-ylpropyl)propanamide Traditional Name: 3-(2-methylbenzyl)sulfonyl-N-(3-morpholin-4-ium-4-ylpropyl)propionamide Formula: C18H29N2O4S+ MolecularWeight: 369.49886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCCC[NH+]2CCOCC2

Isomeric SMILES

CC1=CC=CC=C1CS(=O)(=O)CCC(=O)NCCC[NH+]2CCOCC2

InChI

InChI=1S/C18H28N2O4S/c1-16-5-2-3-6-17(16)15-25(22,23)14-7-18(21)19-8-4-9-20-10-12-24-13-11-20/h2-3,5-6H,4,7-15H2,1H3,(H,19,21)/p+1