1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]but-3-en-1-one

Systemtic Name: 1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]but-3-en-1-one Openeye Name: 1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]but-3-en-1-one CAS Name: 1-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-3-buten-1-one IUPAC Name: 1-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]but-3-en-1-one Traditional Name: 1-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]but-3-en-1-one Formula: C19H28N3O+ MolecularWeight: 314.44512

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(=O)N1CCC(C1)C2CC[NH+](CC2)CC3=CN=CC=C3

Isomeric SMILES

C=CCC(=O)N1CC[C@@H](C1)C2CC[NH+](CC2)CC3=CN=CC=C3

InChI

InChI=1S/C19H27N3O/c1-2-4-19(23)22-12-8-18(15-22)17-6-10-21(11-7-17)14-16-5-3-9-20-13-16/h2-3,5,9,13,17-18H,1,4,6-8,10-12,14-15H2/p+1/t18-/m0/s1