[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-[(3S)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium

Systemtic Name: [1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-[(3S)-5-oxidanylidene-1-phenethyl-pyrrolidin-3-yl]azanium Openeye Name: [1-(2-furylmethyl)piperidin-1-ium-4-yl]-[(3S)-5-oxo-1-phenethyl-pyrrolidin-3-yl]ammonium CAS Name: [1-(2-furanylmethyl)-4-piperidin-1-iumyl]-[(3S)-5-oxo-1-phenethyl-3-pyrrolidinyl]ammonium IUPAC Name: [1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]-[(3S)-5-oxo-1-phenethylpyrrolidin-3-yl]azanium Traditional Name: [1-(2-furfuryl)piperidin-1-ium-4-yl]-[(3S)-5-keto-1-phenethyl-pyrrolidin-3-yl]ammonium Formula: C22H31N3O2+2 MolecularWeight: 369.50044

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH2+]C2CC(=O)N(C2)CCC3=CC=CC=C3)CC4=CC=CO4

Isomeric SMILES

C1C[NH+](CCC1[NH2+][C@H]2CC(=O)N(C2)CCC3=CC=CC=C3)CC4=CC=CO4

InChI

InChI=1S/C22H29N3O2/c26-22-15-20(16-25(22)13-8-18-5-2-1-3-6-18)23-19-9-11-24(12-10-19)17-21-7-4-14-27-21/h1-7,14,19-20,23H,8-13,15-17H2/p+2/t20-/m0/s1