(4-methoxy-3-methyl-phenyl)methyl-methyl-[(S)-[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]-phenyl-methyl]azanium

Systemtic Name: (4-methoxy-3-methyl-phenyl)methyl-methyl-[(S)-[1-(2-methylphenyl)-1,2,3,4-tetrazol-5-yl]-phenyl-methyl]azanium Openeye Name: (4-methoxy-3-methyl-phenyl)methyl-methyl-[(S)-[1-(o-tolyl)tetrazol-5-yl]-phenyl-methyl]ammonium CAS Name: (4-methoxy-3-methylphenyl)methyl-methyl-[(S)-[1-(2-methylphenyl)-5-tetrazolyl]-phenylmethyl]ammonium IUPAC Name: (4-methoxy-3-methylphenyl)methyl-methyl-[(S)-[1-(2-methylphenyl)tetrazol-5-yl]-phenylmethyl]azanium Traditional Name: (4-methoxy-3-methyl-benzyl)-methyl-[(S)-[1-(o-tolyl)tetrazol-5-yl]-phenyl-methyl]ammonium Formula: C25H28N5O+ MolecularWeight: 414.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=N2)C(C3=CC=CC=C3)[NH+](C)CC4=CC(=C(C=C4)OC)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=N2)[C@H](C3=CC=CC=C3)[NH+](C)CC4=CC(=C(C=C4)OC)C

InChI

InChI=1S/C25H27N5O/c1-18-10-8-9-13-22(18)30-25(26-27-28-30)24(21-11-6-5-7-12-21)29(3)17-20-14-15-23(31-4)19(2)16-20/h5-16,24H,17H2,1-4H3/p+1/t24-/m0/s1