1-[2-(aminomethyl)-3-(3-tert-butyl-4-decoxy-phenyl)carbonyl-1-methyl-pyridin-1-ium-4-yl]ethanone

Systemtic Name: 1-[2-(aminomethyl)-3-(3-tert-butyl-4-decoxy-phenyl)carbonyl-1-methyl-pyridin-1-ium-4-yl]ethanone Openeye Name: 1-[2-(aminomethyl)-3-(3-tert-butyl-4-decoxy-benzoyl)-1-methyl-pyridin-1-ium-4-yl]ethanone CAS Name: 1-[2-(aminomethyl)-3-[(3-tert-butyl-4-decoxyphenyl)-oxomethyl]-1-methyl-4-pyridin-1-iumyl]ethanone IUPAC Name: 1-[2-(aminomethyl)-3-(3-tert-butyl-4-decoxybenzoyl)-1-methylpyridin-1-ium-4-yl]ethanone Traditional Name: 1-[2-(aminomethyl)-3-(3-tert-butyl-4-decoxy-benzoyl)-1-methyl-pyridin-1-ium-4-yl]ethanone Formula: C30H45N2O3+ MolecularWeight: 481.6899

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C=C[N+](=C2CN)C)C(=O)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C=C[N+](=C2CN)C)C(=O)C)C(C)(C)C

InChI

InChI=1S/C30H45N2O3/c1-7-8-9-10-11-12-13-14-19-35-27-16-15-23(20-25(27)30(3,4)5)29(34)28-24(22(2)33)17-18-32(6)26(28)21-31/h15-18,20H,7-14,19,21,31H2,1-6H3/q+1