(4-tert-butylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-[3-(1-pyrazolyl)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-(3-pyrazol-1-ylpropyl)piperidin-1-ium-3-yl]methanone Formula: C22H32N3O+ MolecularWeight: 354.50898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CCCN3C=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CCCN3C=CC=N3

InChI

InChI=1S/C22H31N3O/c1-22(2,3)20-10-8-18(9-11-20)21(26)19-7-4-13-24(17-19)14-6-16-25-15-5-12-23-25/h5,8-12,15,19H,4,6-7,13-14,16-17H2,1-3H3/p+1/t19-/m0/s1