(3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide

Systemtic Name: (3S)-1-(furan-2-ylmethyl)-5-oxidanylidene-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]pyrrolidine-3-carboxamide Openeye Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-furylmethyl)-5-oxo-pyrrolidine-3-carboxamide CAS Name: (3S)-1-(2-furanylmethyl)-5-oxo-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-pyrrolidinecarboxamide IUPAC Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide Traditional Name: (3S)-N-(1-benzylpiperidin-1-ium-4-yl)-1-(2-furfuryl)-5-keto-pyrrolidine-3-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)C2CC(=O)N(C2)CC3=CC=CO3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)[C@H]2CC(=O)N(C2)CC3=CC=CO3)CC4=CC=CC=C4

InChI

InChI=1S/C22H27N3O3/c26-21-13-18(15-25(21)16-20-7-4-12-28-20)22(27)23-19-8-10-24(11-9-19)14-17-5-2-1-3-6-17/h1-7,12,18-19H,8-11,13-16H2,(H,23,27)/p+1/t18-/m0/s1