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

Systemtic Name: [4-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-morpholin-4-yl-methanone Openeye Name: [4-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-morpholino-methanone CAS Name: [4-(4-cyclopentyl-1-piperazin-4-iumyl)-3-nitrophenyl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitrophenyl]-morpholin-4-ylmethanone Traditional Name: [4-(4-cyclopentylpiperazin-4-ium-1-yl)-3-nitro-phenyl]-morpholino-methanone Formula: C20H29N4O4+ MolecularWeight: 389.46866

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H28N4O4/c25-20(23-11-13-28-14-12-23)16-5-6-18(19(15-16)24(26)27)22-9-7-21(8-10-22)17-3-1-2-4-17/h5-6,15,17H,1-4,7-14H2/p+1