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

Systemtic Name: pyridin-4-yl-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Openeye Name: 4-pyridyl-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone CAS Name: pyridin-4-yl-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]methanone IUPAC Name: pyridin-4-yl-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Traditional Name: 4-pyridyl-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]methanone Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O/c26-21(19-3-9-22-10-4-19)25-13-7-20(16-25)18-5-11-24(12-6-18)15-17-2-1-8-23-14-17/h1-4,8-10,14,18,20H,5-7,11-13,15-16H2/p+1/t20-/m0/s1