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

Systemtic Name: cyclooctyl-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: cyclooctyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: cyclooctyl-[[3-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: cyclooctyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: cyclooctyl-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonium Formula: C23H30N5O2+ MolecularWeight: 408.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCCC2)OC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C23H29N5O2/c1-29-22-16-18(17-24-19-10-6-3-2-4-7-11-19)14-15-21(22)30-23-25-26-27-28(23)20-12-8-5-9-13-20/h5,8-9,12-16,19,24H,2-4,6-7,10-11,17H2,1H3/p+1