(4-tert-butylphenyl)methyl N-butyl-N-pyridin-1-ium-3-yl-carbamate

Systemtic Name: (4-tert-butylphenyl)methyl N-butyl-N-pyridin-1-ium-3-yl-carbamate Openeye Name: (4-tert-butylphenyl)methyl N-butyl-N-pyridin-1-ium-3-yl-carbamate CAS Name: N-butyl-N-(3-pyridin-1-iumyl)carbamic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl N-butyl-N-pyridin-1-ium-3-ylcarbamate Traditional Name: N-butyl-N-pyridin-1-ium-3-yl-carbamic acid (4-tert-butylbenzyl) ester Formula: C21H29N2O2+ MolecularWeight: 341.46716

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C[NH+]=CC=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCN(C1=C[NH+]=CC=C1)C(=O)OCC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C21H28N2O2/c1-5-6-14-23(19-8-7-13-22-15-19)20(24)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3/p+1