N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)adamantan-2-amine

Systemtic Name: N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)adamantan-2-amine Openeye Name: N-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)adamantan-2-amine CAS Name: N-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]-2-adamantanamine IUPAC Name: N-(2-nitro-5-piperazin-4-ium-1-ylphenyl)adamantan-2-amine Traditional Name: 2-adamantyl-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)amine Formula: C20H29N4O2+ MolecularWeight: 357.46986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC(=C(C=C2)[N+](=O)[O-])NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C20H28N4O2/c25-24(26)19-2-1-17(23-5-3-21-4-6-23)12-18(19)22-20-15-8-13-7-14(10-15)11-16(20)9-13/h1-2,12-16,20-22H,3-11H2/p+1