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

Systemtic Name: 1-(2-methylpropyl)-4-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium Openeye Name: 1-isobutyl-4-[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium CAS Name: 1-(2-methylpropyl)-4-[(3R)-1-[(1-propan-2-yl-4-pyrazolyl)methyl]-3-pyrrolidin-1-iumyl]piperidin-1-ium IUPAC Name: 1-(2-methylpropyl)-4-[(3R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium Traditional Name: 1-isobutyl-4-[(3R)-1-[(1-isopropylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]piperidin-1-ium Formula: C20H38N4+2 MolecularWeight: 334.54252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36N4/c1-16(2)12-22-8-5-19(6-9-22)20-7-10-23(15-20)13-18-11-21-24(14-18)17(3)4/h11,14,16-17,19-20H,5-10,12-13,15H2,1-4H3/p+2/t20-/m0/s1