2-[(4-dodecylphenyl)methyl]isoquinolin-2-ium chloride

Systemtic Name: 2-[(4-dodecylphenyl)methyl]isoquinolin-2-ium chloride Openeye Name: 2-[(4-dodecylphenyl)methyl]isoquinolin-2-ium chloride CAS Name: 2-[(4-dodecylphenyl)methyl]isoquinolin-2-ium chloride IUPAC Name: 2-[(4-dodecylphenyl)methyl]isoquinolin-2-ium chloride Traditional Name: 2-(4-laurylbenzyl)isoquinolin-2-ium chloride Formula: C28H38ClN MolecularWeight: 424.06102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Cl-]

InChI

InChI=1S/C28H38N.ClH/c1-2-3-4-5-6-7-8-9-10-11-14-25-17-19-26(20-18-25)23-29-22-21-27-15-12-13-16-28(27)24-29;/h12-13,15-22,24H,2-11,14,23H2,1H3;1H/q+1;/p-1