[1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone Openeye Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-yl-methanone CAS Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]-(1-pyrrolidinyl)methanone IUPAC Name: [1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidin-1-ylmethanone Traditional Name: [1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]-pyrrolidino-methanone Formula: C27H33N4O2+ MolecularWeight: 445.57652

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C2=NN(C=C2C[NH+]3CCC(CC3)C(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2/c1-33-25-11-7-8-22(18-25)26-23(20-31(28-26)24-9-3-2-4-10-24)19-29-16-12-21(13-17-29)27(32)30-14-5-6-15-30/h2-4,7-11,18,20-21H,5-6,12-17,19H2,1H3/p+1