(3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxidanylidene-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-(indan-5-ylamino)-2-oxo-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-(indan-5-ylamino)-2-keto-ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=CC3=C(CCC3)C=C2)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=CC3=C(CCC3)C=C2)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O2/c27-22(24-21-12-11-17-6-4-7-18(17)14-21)16-26-13-5-8-19(15-26)23(28)25-20-9-2-1-3-10-20/h1-3,9-12,14,19H,4-8,13,15-16H2,(H,24,27)(H,25,28)/p+1/t19-/m0/s1