(1-oxidanidylpyridin-1-ium-3-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone

Systemtic Name: (1-oxidanidylpyridin-1-ium-3-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Openeye Name: (1-oxidopyridin-1-ium-3-yl)-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone CAS Name: (1-oxido-3-pyridin-1-iumyl)-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]methanone IUPAC Name: (1-oxidopyridin-1-ium-3-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Traditional Name: (1-oxidopyridin-1-ium-3-yl)-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]methanone Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2CCN(C2)C(=O)C3=C[N+](=CC=C3)[O-])CC4=CN=CC=C4

Isomeric SMILES

C1CN(C[C@H]1C2CC[NH+](CC2)CC3=CN=CC=C3)C(=O)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C21H26N4O2/c26-21(20-4-2-9-25(27)16-20)24-12-7-19(15-24)18-5-10-23(11-6-18)14-17-3-1-8-22-13-17/h1-4,8-9,13,16,18-19H,5-7,10-12,14-15H2/p+1/t19-/m0/s1