(E)-3-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide

Systemtic Name: (E)-3-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Openeye Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(p-tolyl)prop-2-enamide CAS Name: (E)-3-(4-methylphenyl)-N-[3-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]-2-propenamide IUPAC Name: (E)-3-(4-methylphenyl)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]prop-2-enamide Traditional Name: (E)-N-[3-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]-3-(p-tolyl)acrylamide Formula: C19H29N2O+ MolecularWeight: 301.44636

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1CCCNC(=O)C=CC2=CC=C(C=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O/c1-16-7-9-18(10-8-16)11-12-19(22)20-13-5-15-21-14-4-3-6-17(21)2/h7-12,17H,3-6,13-15H2,1-2H3,(H,20,22)/p+1/b12-11+/t17-/m0/s1