[1-(3,4-dimethoxyphenyl)-4-oxidanyl-cyclohexyl]methyl-[(4-nitrophenyl)methyl]azanium

Systemtic Name: [1-(3,4-dimethoxyphenyl)-4-oxidanyl-cyclohexyl]methyl-[(4-nitrophenyl)methyl]azanium Openeye Name: [1-(3,4-dimethoxyphenyl)-4-hydroxy-cyclohexyl]methyl-[(4-nitrophenyl)methyl]ammonium CAS Name: [1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexyl]methyl-[(4-nitrophenyl)methyl]ammonium IUPAC Name: [1-(3,4-dimethoxyphenyl)-4-hydroxycyclohexyl]methyl-[(4-nitrophenyl)methyl]azanium Traditional Name: [1-(3,4-dimethoxyphenyl)-4-hydroxy-cyclohexyl]methyl-(4-nitrobenzyl)ammonium Formula: C22H29N2O5+ MolecularWeight: 401.47606

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2(CCC(CC2)O)C[NH2+]CC3=CC=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C22H28N2O5/c1-28-20-8-5-17(13-21(20)29-2)22(11-9-19(25)10-12-22)15-23-14-16-3-6-18(7-4-16)24(26)27/h3-8,13,19,23,25H,9-12,14-15H2,1-2H3/p+1