(2S)-1-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[2-[bis(phenylmethyl)amino]-2-oxidanylidene-ethyl]piperidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[2-(dibenzylamino)-2-oxo-ethyl]piperidin-1-ium-2-carboxamide CAS Name: (2S)-1-[2-[bis(phenylmethyl)amino]-2-oxoethyl]-2-piperidin-1-iumcarboxamide IUPAC Name: (2S)-1-[2-(dibenzylamino)-2-oxoethyl]piperidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[2-(dibenzylamino)-2-keto-ethyl]piperidin-1-ium-2-carboxamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C(C1)C(=O)N)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C1CC[NH+]([C@@H](C1)C(=O)N)CC(=O)N(CC2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O2/c23-22(27)20-13-7-8-14-24(20)17-21(26)25(15-18-9-3-1-4-10-18)16-19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13-17H2,(H2,23,27)/p+1/t20-/m0/s1