4-[[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]amino]benzamide

Systemtic Name: 4-[[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]amino]benzamide Openeye Name: 4-[[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]amino]benzamide CAS Name: 4-[[(2R)-1-oxo-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propyl]amino]benzamide IUPAC Name: 4-[[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]amino]benzamide Traditional Name: 4-[[(2R)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanoyl]amino]benzamide Formula: C21H24N3O2+ MolecularWeight: 350.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(=CC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+]2CCC(=CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2/c1-15(21(26)23-19-9-7-18(8-10-19)20(22)25)24-13-11-17(12-14-24)16-5-3-2-4-6-16/h2-11,15H,12-14H2,1H3,(H2,22,25)(H,23,26)/p+1/t15-/m1/s1