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

Systemtic Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Openeye Name: (3-isopropoxyphenyl)-[(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-yl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]-(3-propan-2-yloxyphenyl)methanone IUPAC Name: [(3S)-1-[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]-(3-propan-2-yloxyphenyl)methanone Traditional Name: (3-isopropoxyphenyl)-[(3S)-1-[(1-isopropyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone Formula: C24H36N3O2+ MolecularWeight: 398.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCCC(C2)C(=O)C3=CC(=CC=C3)OC(C)C

Isomeric SMILES

CC1=C(C(=NN1C(C)C)C)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC(=CC=C3)OC(C)C

InChI

InChI=1S/C24H35N3O2/c1-16(2)27-19(6)23(18(5)25-27)15-26-12-8-10-21(14-26)24(28)20-9-7-11-22(13-20)29-17(3)4/h7,9,11,13,16-17,21H,8,10,12,14-15H2,1-6H3/p+1/t21-/m0/s1