(3S)-1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(E)-cinnamyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(E)-3-phenylprop-2-enyl]-N-[2-(3-pyridinyloxy)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(E)-3-phenylprop-2-enyl]-N-(2-pyridin-3-yloxyphenyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(E)-cinnamyl]-N-[2-(3-pyridyloxy)phenyl]piperidin-1-ium-3-carboxamide Formula: C26H28N3O2+ MolecularWeight: 414.51942

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC=CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C/C=C/C2=CC=CC=C2)C(=O)NC3=CC=CC=C3OC4=CN=CC=C4

InChI

InChI=1S/C26H27N3O2/c30-26(28-24-14-4-5-15-25(24)31-23-13-6-16-27-19-23)22-12-8-18-29(20-22)17-7-11-21-9-2-1-3-10-21/h1-7,9-11,13-16,19,22H,8,12,17-18,20H2,(H,28,30)/p+1/b11-7+/t22-/m0/s1