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

Systemtic Name: (E)-3-(3-methylthiophen-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Openeye Name: (E)-3-(3-methyl-2-thienyl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide CAS Name: (E)-3-(3-methyl-2-thiophenyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]-2-propenamide IUPAC Name: (E)-3-(3-methylthiophen-2-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]prop-2-enamide Traditional Name: (E)-3-(3-methyl-2-thienyl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]acrylamide Formula: C21H27N2OS+ MolecularWeight: 355.51688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C=CC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(SC=C1)/C=C/C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H26N2OS/c1-17-11-14-25-20(17)9-10-21(24)22-15-18-5-7-19(8-6-18)16-23-12-3-2-4-13-23/h5-11,14H,2-4,12-13,15-16H2,1H3,(H,22,24)/p+1/b10-9+