4-ethyl-3-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)pyridin-1-ium-2-yl]benzamide

Systemtic Name: 4-ethyl-3-morpholin-4-ylsulfonyl-N-[1-(phenylmethyl)pyridin-1-ium-2-yl]benzamide Openeye Name: N-(1-benzylpyridin-1-ium-2-yl)-4-ethyl-3-morpholinosulfonyl-benzamide CAS Name: 4-ethyl-3-(4-morpholinylsulfonyl)-N-[1-(phenylmethyl)-2-pyridin-1-iumyl]benzamide IUPAC Name: N-(1-benzylpyridin-1-ium-2-yl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide Traditional Name: N-(1-benzylpyridin-1-ium-2-yl)-4-ethyl-3-morpholinosulfonyl-benzamide Formula: C25H28N3O4S+ MolecularWeight: 466.57252

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC=[N+]2CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)NC2=CC=CC=[N+]2CC3=CC=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C25H27N3O4S/c1-2-21-11-12-22(18-23(21)33(30,31)28-14-16-32-17-15-28)25(29)26-24-10-6-7-13-27(24)19-20-8-4-3-5-9-20/h3-13,18H,2,14-17,19H2,1H3/p+1