1-[(3,4-dichlorophenyl)methyl]-4-tridecyl-pyridin-1-ium

Systemtic Name: 1-[(3,4-dichlorophenyl)methyl]-4-tridecyl-pyridin-1-ium Openeye Name: 1-[(3,4-dichlorophenyl)methyl]-4-tridecyl-pyridin-1-ium CAS Name: 1-[(3,4-dichlorophenyl)methyl]-4-tridecylpyridin-1-ium IUPAC Name: 1-[(3,4-dichlorophenyl)methyl]-4-tridecylpyridin-1-ium Traditional Name: 1-(3,4-dichlorobenzyl)-4-tridecyl-pyridin-1-ium Formula: C25H36Cl2N+ MolecularWeight: 421.46604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=CC=[N+](C=C1)CC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CCCCCCCCCCCCCC1=CC=[N+](C=C1)CC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C25H36Cl2N/c1-2-3-4-5-6-7-8-9-10-11-12-13-22-16-18-28(19-17-22)21-23-14-15-24(26)25(27)20-23/h14-20H,2-13,21H2,1H3/q+1