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

Systemtic Name: 4-[(3R)-1-[(3-methyl-1-prop-2-enyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]-1-(2-methylpropyl)piperidin-1-ium Openeye Name: 4-[(3R)-1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]-1-isobutyl-piperidin-1-ium CAS Name: 4-[(3R)-1-[(3-methyl-1-prop-2-enyl-4-pyrazolyl)methyl]-3-pyrrolidin-1-iumyl]-1-(2-methylpropyl)piperidin-1-ium IUPAC Name: 4-[(3R)-1-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]-1-(2-methylpropyl)piperidin-1-ium Traditional Name: 4-[(3R)-1-[(1-allyl-3-methyl-pyrazol-4-yl)methyl]pyrrolidin-1-ium-3-yl]-1-isobutyl-piperidin-1-ium Formula: C21H38N4+2 MolecularWeight: 346.55322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCC(C2)C3CC[NH+](CC3)CC(C)C)CC=C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CC[C@@H](C2)C3CC[NH+](CC3)CC(C)C)CC=C

InChI

InChI=1S/C21H36N4/c1-5-9-25-16-21(18(4)22-25)15-24-12-8-20(14-24)19-6-10-23(11-7-19)13-17(2)3/h5,16-17,19-20H,1,6-15H2,2-4H3/p+2/t20-/m0/s1