1-[5-azanyl-1,6-dimethyl-4-(3-tetradecoxyphenyl)carbonyl-pyridin-1-ium-3-yl]ethanone iodide

Systemtic Name: 1-[5-azanyl-1,6-dimethyl-4-(3-tetradecoxyphenyl)carbonyl-pyridin-1-ium-3-yl]ethanone iodide Openeye Name: 1-[5-amino-1,6-dimethyl-4-(3-tetradecoxybenzoyl)pyridin-1-ium-3-yl]ethanone iodide CAS Name: 1-[5-amino-1,6-dimethyl-4-[oxo-(3-tetradecoxyphenyl)methyl]-3-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[5-amino-1,6-dimethyl-4-(3-tetradecoxybenzoyl)pyridin-1-ium-3-yl]ethanone iodide Traditional Name: 1-[5-amino-1,6-dimethyl-4-(3-myristyloxybenzoyl)pyridin-1-ium-3-yl]ethanone iodide Formula: C30H45IN2O3 MolecularWeight: 608.59437

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)C)C)N.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)C)C)N.[I-]

InChI

InChI=1S/C30H44N2O3.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-20-35-26-19-17-18-25(21-26)30(34)28-27(24(3)33)22-32(4)23(2)29(28)31;/h17-19,21-22H,5-16,20H2,1-4H3,(H-,31,34);1H