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

Systemtic Name: 3-[[3-ethoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methylazaniumyl]propyl-dimethyl-azanium Openeye Name: 3-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methylammonio]propyl-dimethyl-ammonium CAS Name: 3-[[3-ethoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methylammonio]propyl-dimethylammonium IUPAC Name: 3-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylazaniumyl]propyl-dimethylazanium Traditional Name: 3-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonio]propyl-dimethyl-ammonium Formula: C21H30N6O2+2 MolecularWeight: 398.5019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+](C)C)OC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C[NH2+]CCC[NH+](C)C)OC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C21H28N6O2/c1-4-28-20-15-17(16-22-13-8-14-26(2)3)11-12-19(20)29-21-23-24-25-27(21)18-9-6-5-7-10-18/h5-7,9-12,15,22H,4,8,13-14,16H2,1-3H3/p+2