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

Systemtic Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3,4-dimethoxyphenyl)-[(3S)-1-(1H-pyrazol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Formula: C18H24N3O3+ MolecularWeight: 330.40146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=NN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NN3)OC

InChI

InChI=1S/C18H23N3O3/c1-23-16-6-5-13(10-17(16)24-2)18(22)14-4-3-9-21(11-14)12-15-7-8-19-20-15/h5-8,10,14H,3-4,9,11-12H2,1-2H3,(H,19,20)/p+1/t14-/m0/s1