(E)-3-(2-bromanyl-4-methyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide

Systemtic Name: (E)-3-(2-bromanyl-4-methyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Openeye Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide CAS Name: (E)-3-(2-bromo-4-methylphenyl)-N-(1-propyl-4-piperidin-1-iumyl)-2-propenamide IUPAC Name: (E)-3-(2-bromo-4-methylphenyl)-N-(1-propylpiperidin-1-ium-4-yl)prop-2-enamide Traditional Name: (E)-3-(2-bromo-4-methyl-phenyl)-N-(1-propylpiperidin-1-ium-4-yl)acrylamide Formula: C18H26BrN2O+ MolecularWeight: 366.31584

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC(=O)C=CC2=C(C=C(C=C2)C)Br

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC(=O)/C=C/C2=C(C=C(C=C2)C)Br

InChI

InChI=1S/C18H25BrN2O/c1-3-10-21-11-8-16(9-12-21)20-18(22)7-6-15-5-4-14(2)13-17(15)19/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,22)/p+1/b7-6+