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

Systemtic Name: 1-[5-azanyl-4-(3,4-diheptoxyphenyl)carbonyl-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide Openeye Name: 1-[5-amino-4-(3,4-diheptoxybenzoyl)-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide CAS Name: 1-[5-amino-4-[(3,4-diheptoxyphenyl)-oxomethyl]-1,6-dimethyl-3-pyridin-1-iumyl]ethanone iodide IUPAC Name: 1-[5-amino-4-(3,4-diheptoxybenzoyl)-1,6-dimethylpyridin-1-ium-3-yl]ethanone iodide Traditional Name: 1-[5-amino-4-(3,4-diheptoxybenzoyl)-1,6-dimethyl-pyridin-1-ium-3-yl]ethanone iodide Formula: C30H45IN2O4 MolecularWeight: 624.59377

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)C)C)N)OCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C(=O)C2=C(C(=[N+](C=C2C(=O)C)C)C)N)OCCCCCCC.[I-]

InChI

InChI=1S/C30H44N2O4.HI/c1-6-8-10-12-14-18-35-26-17-16-24(20-27(26)36-19-15-13-11-9-7-2)30(34)28-25(23(4)33)21-32(5)22(3)29(28)31;/h16-17,20-21H,6-15,18-19H2,1-5H3,(H-,31,34);1H