(4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-yl-azanium

Systemtic Name: (4-methyl-2-oxidanyl-5-propan-2-yl-phenyl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-yl-azanium Openeye Name: (2-hydroxy-5-isopropyl-4-methyl-phenyl)methyl-isopropyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium CAS Name: (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-ylammonium IUPAC Name: (2-hydroxy-4-methyl-5-propan-2-ylphenyl)methyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-propan-2-ylazanium Traditional Name: (2-hydroxy-5-isopropyl-4-methyl-benzyl)-isopropyl-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]ammonium Formula: C23H29N4O4+ MolecularWeight: 425.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(C)C)C[NH+](CC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1C(C)C)C[NH+](CC2=NN=C(O2)C3=CC(=CC=C3)[N+](=O)[O-])C(C)C)O

InChI

InChI=1S/C23H28N4O4/c1-14(2)20-11-18(21(28)9-16(20)5)12-26(15(3)4)13-22-24-25-23(31-22)17-7-6-8-19(10-17)27(29)30/h6-11,14-15,28H,12-13H2,1-5H3/p+1