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

Systemtic Name: (5-nitro-2-piperazin-4-ium-1-yl-phenyl)-piperidin-1-yl-methanone Openeye Name: (5-nitro-2-piperazin-4-ium-1-yl-phenyl)-(1-piperidyl)methanone CAS Name: [5-nitro-2-(1-piperazin-4-iumyl)phenyl]-(1-piperidinyl)methanone IUPAC Name: (5-nitro-2-piperazin-4-ium-1-ylphenyl)-piperidin-1-ylmethanone Traditional Name: (5-nitro-2-piperazin-4-ium-1-yl-phenyl)-piperidino-methanone Formula: C16H23N4O3+ MolecularWeight: 319.37882

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH2+]CC3

Isomeric SMILES

C1CCN(CC1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CC[NH2+]CC3

InChI

InChI=1S/C16H22N4O3/c21-16(19-8-2-1-3-9-19)14-12-13(20(22)23)4-5-15(14)18-10-6-17-7-11-18/h4-5,12,17H,1-3,6-11H2/p+1