[C-(4-ethoxynaphthalen-1-yl)carbonimidoyl]-diheptyl-azanium chloride

Systemtic Name: [C-(4-ethoxynaphthalen-1-yl)carbonimidoyl]-diheptyl-azanium chloride Openeye Name: (4-ethoxynaphthalene-1-carboximidoyl)-diheptyl-ammonium chloride CAS Name: [(4-ethoxy-1-naphthalenyl)-iminomethyl]-diheptylammonium chloride IUPAC Name: (4-ethoxynaphthalene-1-carboximidoyl)-diheptylazanium chloride Traditional Name: (4-ethoxynaphthalene-1-carboximidoyl)-diheptyl-ammonium chloride Formula: C27H43ClN2O MolecularWeight: 447.09612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[NH+](CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCC.[Cl-]

Isomeric SMILES

CCCCCCC[NH+](CCCCCCC)C(=N)C1=CC=C(C2=CC=CC=C21)OCC.[Cl-]

InChI

InChI=1S/C27H42N2O.ClH/c1-4-7-9-11-15-21-29(22-16-12-10-8-5-2)27(28)25-19-20-26(30-6-3)24-18-14-13-17-23(24)25;/h13-14,17-20,28H,4-12,15-16,21-22H2,1-3H3;1H