(3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C24H28N3O3+ MolecularWeight: 406.49742

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=C(NN=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C(NN=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C24H27N3O3/c1-29-21-11-10-18(13-22(21)30-2)24(28)19-9-6-12-27(15-19)16-20-14-25-26-23(20)17-7-4-3-5-8-17/h3-5,7-8,10-11,13-14,19H,6,9,12,15-16H2,1-2H3,(H,25,26)/p+1/t19-/m0/s1