(3S)-3-(methoxymethyl)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium

Systemtic Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium Openeye Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium CAS Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]piperidin-1-ium IUPAC Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperidin-1-ium Traditional Name: (3S)-3-(methoxymethyl)-1-[[3-(3-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]piperidin-1-ium Formula: C24H30N3O2+ MolecularWeight: 392.5139

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Descriptors Computed from Structure

Canonical SMILES:

COCC1CCC[NH+](C1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

Isomeric SMILES

COC[C@H]1CCC[NH+](C1)CC2=CN(N=C2C3=CC(=CC=C3)OC)C4=CC=CC=C4

InChI

InChI=1S/C24H29N3O2/c1-28-18-19-8-7-13-26(15-19)16-21-17-27(22-10-4-3-5-11-22)25-24(21)20-9-6-12-23(14-20)29-2/h3-6,9-12,14,17,19H,7-8,13,15-16,18H2,1-2H3/p+1/t19-/m0/s1