[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-pyridazin-4-yl-methanone

Systemtic Name: [(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-pyridazin-4-yl-methanone Openeye Name: [(3R)-3-(1-isobutylpiperidin-1-ium-4-yl)pyrrolidin-1-yl]-pyridazin-4-yl-methanone CAS Name: [(3R)-3-[1-(2-methylpropyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-(4-pyridazinyl)methanone IUPAC Name: [(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]-pyridazin-4-ylmethanone Traditional Name: [(3R)-3-(1-isobutylpiperidin-1-ium-4-yl)pyrrolidino]-pyridazin-4-yl-methanone Formula: C18H29N4O+ MolecularWeight: 317.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C2CCN(C2)C(=O)C3=CN=NC=C3

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)[C@H]2CCN(C2)C(=O)C3=CN=NC=C3

InChI

InChI=1S/C18H28N4O/c1-14(2)12-21-8-4-15(5-9-21)17-6-10-22(13-17)18(23)16-3-7-19-20-11-16/h3,7,11,14-15,17H,4-6,8-10,12-13H2,1-2H3/p+1/t17-/m0/s1