N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-ethynyl-benzamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-ethynyl-benzamide Openeye Name: 3-ethynyl-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]benzamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-3-ethynylbenzamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-3-ethynylbenzamide Traditional Name: 3-ethynyl-N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]benzamide Formula: C23H25N2O+ MolecularWeight: 345.4574

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)C(=O)NC2CCC[NH+](C2)C3CC4=CC=CC=C4C3

Isomeric SMILES

C#CC1=CC(=CC=C1)C(=O)N[C@H]2CCC[NH+](C2)C3CC4=CC=CC=C4C3

InChI

InChI=1S/C23H24N2O/c1-2-17-7-5-10-20(13-17)23(26)24-21-11-6-12-25(16-21)22-14-18-8-3-4-9-19(18)15-22/h1,3-5,7-10,13,21-22H,6,11-12,14-16H2,(H,24,26)/p+1/t21-/m0/s1