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

Systemtic Name: (2-azanylpyridin-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Openeye Name: (2-amino-4-pyridyl)-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone CAS Name: (2-amino-4-pyridinyl)-[(3R)-3-[1-(3-pyridinylmethyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]methanone IUPAC Name: (2-aminopyridin-4-yl)-[(3R)-3-[1-(pyridin-3-ylmethyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]methanone Traditional Name: (2-amino-4-pyridyl)-[(3R)-3-[1-(3-pyridylmethyl)piperidin-1-ium-4-yl]pyrrolidino]methanone Formula: C21H28N5O+ MolecularWeight: 366.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N5O/c22-20-12-18(3-8-24-20)21(27)26-11-6-19(15-26)17-4-9-25(10-5-17)14-16-2-1-7-23-13-16/h1-3,7-8,12-13,17,19H,4-6,9-11,14-15H2,(H2,22,24)/p+1/t19-/m0/s1