1-adamantyl-[(1-methyl-5-nitro-3-phenyl-indol-2-yl)methyl]azanium

Systemtic Name: 1-adamantyl-[(1-methyl-5-nitro-3-phenyl-indol-2-yl)methyl]azanium Openeye Name: 1-adamantyl-[(1-methyl-5-nitro-3-phenyl-indol-2-yl)methyl]ammonium CAS Name: 1-adamantyl-[(1-methyl-5-nitro-3-phenyl-2-indolyl)methyl]ammonium IUPAC Name: 1-adamantyl-[(1-methyl-5-nitro-3-phenylindol-2-yl)methyl]azanium Traditional Name: 1-adamantyl-[(1-methyl-5-nitro-3-phenyl-indol-2-yl)methyl]ammonium Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C[NH2+]C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C[NH2+]C34CC5CC(C3)CC(C5)C4)C6=CC=CC=C6

InChI

InChI=1S/C26H29N3O2/c1-28-23-8-7-21(29(30)31)12-22(23)25(20-5-3-2-4-6-20)24(28)16-27-26-13-17-9-18(14-26)11-19(10-17)15-26/h2-8,12,17-19,27H,9-11,13-16H2,1H3/p+1