(2,4-dimethoxyphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C19H26N3O3+ MolecularWeight: 344.42804

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C19H25N3O3/c1-21-11-14(10-20-21)12-22-8-4-5-15(13-22)19(23)17-7-6-16(24-2)9-18(17)25-3/h6-7,9-11,15H,4-5,8,12-13H2,1-3H3/p+1/t15-/m0/s1