(E)-3-(5-methylthiophen-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(5-methylthiophen-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(5-methyl-2-thienyl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(5-methyl-2-thiophenyl)-N-[[2-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(5-methylthiophen-2-yl)-N-[[2-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(5-methyl-2-thienyl)-N-[2-(piperidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C=CC(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(S1)/C=C/C(=O)NCC2=CC=CC=C2C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2OS/c1-17-9-10-20(25-17)11-12-21(24)22-15-18-7-3-4-8-19(18)16-23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-16H2,1H3,(H,22,24)/p+1/b12-11+