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

Systemtic Name: cycloheptyl-[[3-methoxy-4-[(1-phenyl-1,2,3,4-tetrazol-5-yl)oxy]phenyl]methyl]azanium Openeye Name: cycloheptyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-phenyl]methyl]ammonium CAS Name: cycloheptyl-[[3-methoxy-4-[(1-phenyl-5-tetrazolyl)oxy]phenyl]methyl]ammonium IUPAC Name: cycloheptyl-[[3-methoxy-4-(1-phenyltetrazol-5-yl)oxyphenyl]methyl]azanium Traditional Name: cycloheptyl-[3-methoxy-4-(1-phenyltetrazol-5-yl)oxy-benzyl]ammonium Formula: C22H28N5O2+ MolecularWeight: 394.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH2+]C2CCCCCC2)OC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2/c1-28-21-15-17(16-23-18-9-5-2-3-6-10-18)13-14-20(21)29-22-24-25-26-27(22)19-11-7-4-8-12-19/h4,7-8,11-15,18,23H,2-3,5-6,9-10,16H2,1H3/p+1