1-(2-methylpropyl)-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium

Systemtic Name: 1-(2-methylpropyl)-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium Openeye Name: 1-isobutyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium CAS Name: 1-(2-methylpropyl)-4-[(3R)-1-[(1-methyl-4-pyrazolyl)methyl]-3-pyrrolidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-(2-methylpropyl)-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium Traditional Name: 1-isobutyl-4-[(3R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium Formula: C18H34N4+2 MolecularWeight: 306.48936

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C2CC[NH+](C2)CC3=CN(N=C3)C

Isomeric SMILES

CC(C)C[NH+]1CCC(CC1)[C@H]2CC[NH+](C2)CC3=CN(N=C3)C

InChI

InChI=1S/C18H32N4/c1-15(2)11-21-7-4-17(5-8-21)18-6-9-22(14-18)13-16-10-19-20(3)12-16/h10,12,15,17-18H,4-9,11,13-14H2,1-3H3/p+2/t18-/m0/s1