(4-tert-butylphenyl)-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-[(6-methyl-2-pyridinyl)methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-[(6-methylpyridin-2-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-[(6-methyl-2-pyridyl)methyl]piperidin-1-ium-3-yl]methanone Formula: C23H31N2O+ MolecularWeight: 351.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=NC(=CC=C1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H30N2O/c1-17-7-5-9-21(24-17)16-25-14-6-8-19(15-25)22(26)18-10-12-20(13-11-18)23(2,3)4/h5,7,9-13,19H,6,8,14-16H2,1-4H3/p+1/t19-/m0/s1