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

Systemtic Name: [(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: [(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone CAS Name: [(3S)-1-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: [(3S)-1-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-isopropoxyphenyl)methanone Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31N3O2/c1-5-25-17(4)20(13-23-25)15-24-11-7-9-19(14-24)22(26)18-8-6-10-21(12-18)27-16(2)3/h6,8,10,12-13,16,19H,5,7,9,11,14-15H2,1-4H3/p+1/t19-/m0/s1