(E)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyridin-4-yl-prop-2-enamide

Systemtic Name: (E)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyridin-4-yl-prop-2-enamide Openeye Name: (E)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(4-pyridyl)prop-2-enamide CAS Name: (E)-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-pyridin-4-yl-2-propenamide IUPAC Name: (E)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyridin-4-ylprop-2-enamide Traditional Name: (E)-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-(4-pyridyl)acrylamide Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)C=CC3=CC=NC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)/C=C/C3=CC=NC=C3

InChI

InChI=1S/C22H27N3O/c26-22(11-10-20-12-14-23-15-13-20)24-21-9-5-17-25(18-21)16-4-8-19-6-2-1-3-7-19/h1-3,6-7,10-15,21H,4-5,8-9,16-18H2,(H,24,26)/p+1/b11-10+/t21-/m0/s1