2-[3-azanyl-4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-azanyl-4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-2-oxidanylidene-pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[3-amino-4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-2-oxo-pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-amino-4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-2-oxo-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[3-amino-4-[(4-tert-butylphenyl)methyl]-1,6-dimethyl-2-oxopyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-amino-4-(4-tert-butylbenzyl)-2-keto-1,6-dimethyl-pyridin-1-ium-1-yl]acetate Formula: C20H26N2O3 MolecularWeight: 342.43204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])N)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CC1=CC(=C(C(=O)[N+]1(C)CC(=O)[O-])N)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H26N2O3/c1-13-10-15(18(21)19(25)22(13,5)12-17(23)24)11-14-6-8-16(9-7-14)20(2,3)4/h6-10H,11-12,21H2,1-5H3