(E)-3-(2-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(2-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(2-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(2-methoxyphenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(2-methoxyphenyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(2-methoxyphenyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=CC=C1/C=C/C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C23H28N2O2/c1-27-22-8-4-3-7-21(22)13-14-23(26)24-17-19-9-11-20(12-10-19)18-25-15-5-2-6-16-25/h3-4,7-14H,2,5-6,15-18H2,1H3,(H,24,26)/p+1/b14-13+