[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone

Systemtic Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C23H34N3O2+ MolecularWeight: 384.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C)C

InChI

InChI=1S/C23H33N3O2/c1-6-26-18(5)22(17(4)24-26)15-25-12-8-10-20(14-25)23(27)19-9-7-11-21(13-19)28-16(2)3/h7,9,11,13,16,20H,6,8,10,12,14-15H2,1-5H3/p+1/t20-/m0/s1