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

Systemtic Name: 3-[[3-ethoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methylazaniumyl]propyl-diethyl-azanium Openeye Name: 3-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methylammonio]propyl-diethyl-ammonium CAS Name: 3-[[3-ethoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methylammonio]propyl-diethylammonium IUPAC Name: 3-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methylazaniumyl]propyl-diethylazanium Traditional Name: 3-[[3-ethoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonio]propyl-diethyl-ammonium Formula: C23H34N6O2+2 MolecularWeight: 426.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N6O2/c1-4-28(5-2)16-10-15-24-18-19-13-14-21(22(17-19)30-6-3)31-23-25-26-27-29(23)20-11-8-7-9-12-20/h7-9,11-14,17,24H,4-6,10,15-16,18H2,1-3H3/p+2