(E)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-2-yl-prop-2-enamide

Systemtic Name: (E)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-2-yl-prop-2-enamide Openeye Name: (E)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(2-pyridyl)prop-2-enamide CAS Name: (E)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(2-pyridinyl)-2-propenamide IUPAC Name: (E)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyridin-2-ylprop-2-enamide Traditional Name: (E)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-(2-pyridyl)acrylamide Formula: C21H26N3O+ MolecularWeight: 336.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)C=CC3=CC=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)/C=C/C3=CC=CC=N3

InChI

InChI=1S/C21H25N3O/c25-21(12-11-19-9-4-5-14-22-19)23-20-10-6-15-24(17-20)16-13-18-7-2-1-3-8-18/h1-5,7-9,11-12,14,20H,6,10,13,15-17H2,(H,23,25)/p+1/b12-11+/t20-/m0/s1