[4-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[1-[(3-isobutyl-1H-pyrazol-5-yl)methyl]piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C24H35N4O2+ MolecularWeight: 411.5603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(C)CC1=NNC(=C1)C[NH+]2CCC(CC2)OC3=CC=C(C=C3)C(=O)N4CCCC4

InChI

InChI=1S/C24H34N4O2/c1-18(2)15-20-16-21(26-25-20)17-27-13-9-23(10-14-27)30-22-7-5-19(6-8-22)24(29)28-11-3-4-12-28/h5-8,16,18,23H,3-4,9-15,17H2,1-2H3,(H,25,26)/p+1