(4-tert-butylphenyl)-[(3S)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CC1=NN(C=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C22H31N3O/c1-16-19(13-24(5)23-16)15-25-12-6-7-18(14-25)21(26)17-8-10-20(11-9-17)22(2,3)4/h8-11,13,18H,6-7,12,14-15H2,1-5H3/p+1/t18-/m0/s1