[(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [(3R)-1-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [(3R)-1-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [(3R)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-pyrrolidino-methanone Formula: C22H35N3O+2 MolecularWeight: 357.5328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)[C@@H]2CCC[NH+](C2)C3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H33N3O/c26-22(24-12-4-5-13-24)20-9-6-14-25(18-20)21-10-15-23(16-11-21)17-19-7-2-1-3-8-19/h1-3,7-8,20-21H,4-6,9-18H2/p+2/t20-/m1/s1