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

Systemtic Name: (E)-3-(3-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Openeye Name: (E)-3-(3-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide CAS Name: (E)-3-(3-bromophenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-propenamide IUPAC Name: (E)-3-(3-bromophenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Traditional Name: (E)-3-(3-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(=CC=C2)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O/c1-15-6-2-3-12-21(15)13-5-11-20-18(22)10-9-16-7-4-8-17(19)14-16/h4,7-10,14-15H,2-3,5-6,11-13H2,1H3,(H,20,22)/p+1/b10-9+/t15-/m0/s1