2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[methyl-[(E)-styryl]sulfonyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(1-propyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[methyl-[(E)-styryl]sulfonyl-amino]-N-(1-propylpiperidin-1-ium-4-yl)acetamide Formula: C19H30N3O3S+ MolecularWeight: 380.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S/c1-3-12-22-13-9-18(10-14-22)20-19(23)16-21(2)26(24,25)15-11-17-7-5-4-6-8-17/h4-8,11,15,18H,3,9-10,12-14,16H2,1-2H3,(H,20,23)/p+1/b15-11+