(E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(4-morpholinosulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-[4-(4-morpholinylsulfonyl)phenyl]-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(4-morpholin-4-ylsulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(4-morpholinosulfonylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C21H32N3O4S+ MolecularWeight: 422.56148

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C=CC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)/C=C/C2=CC=C(C=C2)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H31N3O4S/c1-2-11-23-12-9-19(10-13-23)22-21(25)8-5-18-3-6-20(7-4-18)29(26,27)24-14-16-28-17-15-24/h3-8,19H,2,9-17H2,1H3,(H,22,25)/p+1/b8-5+