1-[2-(2-methylphenyl)propyl]-3-oxidanidyl-3-(3-phenylmethoxyphenyl)-2H-1,2,3,4-tetrazol-3-ium

Systemtic Name: 1-[2-(2-methylphenyl)propyl]-3-oxidanidyl-3-(3-phenylmethoxyphenyl)-2H-1,2,3,4-tetrazol-3-ium Openeye Name: 3-(3-benzyloxyphenyl)-1-[2-(o-tolyl)propyl]-3-oxido-2H-tetrazol-3-ium CAS Name: 1-[2-(2-methylphenyl)propyl]-3-oxido-3-(3-phenylmethoxyphenyl)-2H-tetrazol-3-ium IUPAC Name: 1-[2-(2-methylphenyl)propyl]-3-oxido-3-(3-phenylmethoxyphenyl)-2H-tetrazol-3-ium Traditional Name: 3-(3-benzoxyphenyl)-1-[2-(o-tolyl)propyl]-3-oxido-2H-tetrazol-3-ium Formula: C24H26N4O2 MolecularWeight: 402.48884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)CN2C=N[N+](N2)(C3=CC(=CC=C3)OCC4=CC=CC=C4)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)CN2C=N[N+](N2)(C3=CC(=CC=C3)OCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C24H26N4O2/c1-19-9-6-7-14-24(19)20(2)16-27-18-25-28(29,26-27)22-12-8-13-23(15-22)30-17-21-10-4-3-5-11-21/h3-15,18,20,26H,16-17H2,1-2H3