1-[6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-3-yl]ethanone

Systemtic Name: 1-[6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-3-yl]ethanone Openeye Name: 1-[6-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-3-pyridyl]ethanone CAS Name: 1-[6-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-3-pyridinyl]ethanone IUPAC Name: 1-[6-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]pyridin-3-yl]ethanone Traditional Name: 1-[6-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]-3-pyridyl]ethanone Formula: C22H29N4O+ MolecularWeight: 365.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CN=C(C=C1)N2CCC(C2)C3CC[NH+](CC3)CC4=CN=CC=C4

Isomeric SMILES

CC(=O)C1=CN=C(C=C1)N2CC[C@@H](C2)C3CC[NH+](CC3)CC4=CN=CC=C4

InChI

InChI=1S/C22H28N4O/c1-17(27)20-4-5-22(24-14-20)26-12-8-21(16-26)19-6-10-25(11-7-19)15-18-3-2-9-23-13-18/h2-5,9,13-14,19,21H,6-8,10-12,15-16H2,1H3/p+1/t21-/m0/s1