2-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-1-nitro-anthracene-9,10-dione

Systemtic Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-yl]carbonyl-1-nitro-anthracene-9,10-dione Openeye Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-1-nitro-anthracene-9,10-dione CAS Name: 2-[[4-(1-adamantyl)-1-piperazin-4-iumyl]-oxomethyl]-1-nitroanthracene-9,10-dione IUPAC Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-1-nitroanthracene-9,10-dione Traditional Name: 2-[4-(1-adamantyl)piperazin-4-ium-1-carbonyl]-1-nitro-9,10-anthraquinone Formula: C29H30N3O5+ MolecularWeight: 500.5656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)C5=C(C6=C(C=C5)C(=O)C7=CC=CC=C7C6=O)[N+](=O)[O-]

InChI

InChI=1S/C29H29N3O5/c33-26-20-3-1-2-4-21(20)27(34)24-22(26)5-6-23(25(24)32(36)37)28(35)30-7-9-31(10-8-30)29-14-17-11-18(15-29)13-19(12-17)16-29/h1-6,17-19H,7-16H2/p+1