[(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-[(4-nitrophenyl)methylidene]azanium

Systemtic Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-[(4-nitrophenyl)methylidene]azanium Openeye Name: (4-nitrophenyl)methylene-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]ammonium CAS Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-[(4-nitrophenyl)methylidene]ammonium IUPAC Name: [(5S,7R)-3-(4-methylphenyl)-1-adamantyl]methyl-[(4-nitrophenyl)methylidene]azanium Traditional Name: (4-nitrobenzylidene)-[[(5S,7R)-3-(p-tolyl)-1-adamantyl]methyl]ammonium Formula: C25H29N2O2+ MolecularWeight: 389.50996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C[NH+]=CC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C23C[C@@H]4C[C@H](C2)CC(C4)(C3)C[NH+]=CC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H28N2O2/c1-18-2-6-22(7-3-18)25-13-20-10-21(14-25)12-24(11-20,16-25)17-26-15-19-4-8-23(9-5-19)27(28)29/h2-9,15,20-21H,10-14,16-17H2,1H3/p+1/t20-,21+,24?,25?