(4-tert-butylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-tert-butylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-tert-butylphenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-tert-butylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-tert-butylphenyl)-[(3S)-1-(pyridin-4-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-tert-butylphenyl)-[(3S)-1-(4-pyridylmethyl)piperidin-1-ium-3-yl]methanone Formula: C22H29N2O+ MolecularWeight: 337.47846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC=NC=C3

InChI

InChI=1S/C22H28N2O/c1-22(2,3)20-8-6-18(7-9-20)21(25)19-5-4-14-24(16-19)15-17-10-12-23-13-11-17/h6-13,19H,4-5,14-16H2,1-3H3/p+1/t19-/m0/s1