[3-nitro-4-(4-propylpiperazin-4-ium-1-yl)phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-(4-propylpiperazin-4-ium-1-yl)phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-(4-propylpiperazin-4-ium-1-yl)phenyl]-phenyl-methanone CAS Name: [3-nitro-4-(4-propyl-1-piperazin-4-iumyl)phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-(4-propylpiperazin-4-ium-1-yl)phenyl]-phenylmethanone Traditional Name: [3-nitro-4-(4-propylpiperazin-4-ium-1-yl)phenyl]-phenyl-methanone Formula: C20H24N3O3+ MolecularWeight: 354.42286

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O3/c1-2-10-21-11-13-22(14-12-21)18-9-8-17(15-19(18)23(25)26)20(24)16-6-4-3-5-7-16/h3-9,15H,2,10-14H2,1H3/p+1