(Z)-3-(4-bromophenyl)-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide

Systemtic Name: (Z)-3-(4-bromophenyl)-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Openeye Name: (Z)-3-(4-bromophenyl)-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide CAS Name: (Z)-3-(4-bromophenyl)-2-cyano-N-[2-(1-piperidin-1-iumyl)ethyl]-2-propenamide IUPAC Name: (Z)-3-(4-bromophenyl)-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)prop-2-enamide Traditional Name: (Z)-3-(4-bromophenyl)-2-cyano-N-(2-piperidin-1-ium-1-ylethyl)acrylamide Formula: C17H21BrN3O+ MolecularWeight: 363.27214

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)C(=CC2=CC=C(C=C2)Br)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)/C(=C\C2=CC=C(C=C2)Br)/C#N

InChI

InChI=1S/C17H20BrN3O/c18-16-6-4-14(5-7-16)12-15(13-19)17(22)20-8-11-21-9-2-1-3-10-21/h4-7,12H,1-3,8-11H2,(H,20,22)/p+1/b15-12-