(E)-3-(4-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide

Systemtic Name: (E)-3-(4-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Openeye Name: (E)-3-(4-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide CAS Name: (E)-3-(4-bromophenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-propenamide IUPAC Name: (E)-3-(4-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Traditional Name: (E)-3-(4-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]acrylamide Formula: C18H26BrN2O+ MolecularWeight: 366.31584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CC=C(C=C2)Br

Isomeric SMILES

C[C@H]1CCCC[NH+]1CCCNC(=O)/C=C/C2=CC=C(C=C2)Br

InChI

InChI=1S/C18H25BrN2O/c1-15-5-2-3-13-21(15)14-4-12-20-18(22)11-8-16-6-9-17(19)10-7-16/h6-11,15H,2-5,12-14H2,1H3,(H,20,22)/p+1/b11-8+/t15-/m0/s1