[(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium

Systemtic Name: [(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]azanium Openeye Name: [(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium CAS Name: [(2R)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]ammonium IUPAC Name: [(2R)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-[2-oxo-2-(3-phenylpropylamino)ethyl]azanium Traditional Name: [(2R)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-[2-keto-2-(3-phenylpropylamino)ethyl]ammonium Formula: C22H33N3O2+2 MolecularWeight: 371.51632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C[NH2+]CC(=O)NCCCC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@H](C[NH2+]CC(=O)NCCCC2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C22H31N3O2/c26-22(24-13-7-11-19-9-3-1-4-10-19)18-23-17-20(21-12-8-16-27-21)25-14-5-2-6-15-25/h1,3-4,8-10,12,16,20,23H,2,5-7,11,13-15,17-18H2,(H,24,26)/p+2/t20-/m1/s1