(3-ethylimidazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-[(2-methylphenyl)methyl]azanium

Systemtic Name: (3-ethylimidazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-[(2-methylphenyl)methyl]azanium Openeye Name: (3-ethylimidazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-(o-tolylmethyl)ammonium CAS Name: (3-ethyl-4-imidazolyl)methyl-[3-(1-imidazolyl)propyl]-[(2-methylphenyl)methyl]ammonium IUPAC Name: (3-ethylimidazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-[(2-methylphenyl)methyl]azanium Traditional Name: (3-ethylimidazol-4-yl)methyl-(3-imidazol-1-ylpropyl)-(2-methylbenzyl)ammonium Formula: C20H28N5+ MolecularWeight: 338.46982

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC=C1C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3C

Isomeric SMILES

CCN1C=NC=C1C[NH+](CCCN2C=CN=C2)CC3=CC=CC=C3C

InChI

InChI=1S/C20H27N5/c1-3-25-17-22-13-20(25)15-24(11-6-10-23-12-9-21-16-23)14-19-8-5-4-7-18(19)2/h4-5,7-9,12-13,16-17H,3,6,10-11,14-15H2,1-2H3/p+1