3-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium

Systemtic Name: 3-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C20H28N6O2+2 MolecularWeight: 384.47532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[NH2+]CC1=CC(=C(C=C1)OC2=NN=NN2C3=CC=CC=C3)OC

Isomeric SMILES

C[NH+](C)CCC[NH2+]CC1=CC(=C(C=C1)OC2=NN=NN2C3=CC=CC=C3)OC

InChI

InChI=1S/C20H26N6O2/c1-25(2)13-7-12-21-15-16-10-11-18(19(14-16)27-3)28-20-22-23-24-26(20)17-8-5-4-6-9-17/h4-6,8-11,14,21H,7,12-13,15H2,1-3H3/p+2