(E)-2-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]but-2-enamide

Systemtic Name: (E)-2-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]but-2-enamide Openeye Name: (E)-2-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]but-2-enamide CAS Name: (E)-2-methyl-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-2-butenamide IUPAC Name: (E)-2-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]but-2-enamide Traditional Name: (E)-2-methyl-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]but-2-enamide Formula: C18H27N2O+ MolecularWeight: 287.41978

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(C)C(=O)NC1CCC[NH+](C1)CCC2=CC=CC=C2

Isomeric SMILES

C/C=C(\C)/C(=O)N[C@H]1CCC[NH+](C1)CCC2=CC=CC=C2

InChI

InChI=1S/C18H26N2O/c1-3-15(2)18(21)19-17-10-7-12-20(14-17)13-11-16-8-5-4-6-9-16/h3-6,8-9,17H,7,10-14H2,1-2H3,(H,19,21)/p+1/b15-3+/t17-/m0/s1