1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyridin-1-ium-3-carboxamide

Systemtic Name: 1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyridin-1-ium-3-carboxamide Openeye Name: 1-[(3-morpholinosulfonylphenyl)methyl]pyridin-1-ium-3-carboxamide CAS Name: 1-[[3-(4-morpholinylsulfonyl)phenyl]methyl]-3-pyridin-1-iumcarboxamide IUPAC Name: 1-[(3-morpholin-4-ylsulfonylphenyl)methyl]pyridin-1-ium-3-carboxamide Traditional Name: 1-(3-morpholinosulfonylbenzyl)pyridin-1-ium-3-carboxamide Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C[N+]3=CC=CC(=C3)C(=O)N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C[N+]3=CC=CC(=C3)C(=O)N

InChI

InChI=1S/C17H19N3O4S/c18-17(21)15-4-2-6-19(13-15)12-14-3-1-5-16(11-14)25(22,23)20-7-9-24-10-8-20/h1-6,11,13H,7-10,12H2,(H-,18,21)/p+1