N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-phenyl-prop-2-ynamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-phenyl-prop-2-ynamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-phenyl-prop-2-ynamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-phenyl-2-propynamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-phenylprop-2-ynamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-3-phenyl-propiolamide Formula: C23H25N2O+ MolecularWeight: 345.4574

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C#CC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)C2CC3=CC=CC=C3C2)NC(=O)C#CC4=CC=CC=C4

InChI

InChI=1S/C23H24N2O/c26-23(13-12-18-7-2-1-3-8-18)24-21-11-6-14-25(17-21)22-15-19-9-4-5-10-20(19)16-22/h1-5,7-10,21-22H,6,11,14-17H2,(H,24,26)/p+1/t21-/m0/s1