1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane

Systemtic Name: 1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane Openeye Name: 1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane CAS Name: 1-[2-nitro-5-(1-piperazin-4-iumyl)phenyl]azepane IUPAC Name: 1-(2-nitro-5-piperazin-4-ium-1-ylphenyl)azepane Traditional Name: 1-(2-nitro-5-piperazin-4-ium-1-yl-phenyl)azepane Formula: C16H25N4O2+ MolecularWeight: 305.3953

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=CC(=C2)N3CC[NH2+]CC3)[N+](=O)[O-]

InChI

InChI=1S/C16H24N4O2/c21-20(22)15-6-5-14(18-11-7-17-8-12-18)13-16(15)19-9-3-1-2-4-10-19/h5-6,13,17H,1-4,7-12H2/p+1