3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione

Systemtic Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Openeye Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione CAS Name: 3-[[4-(4-nitrophenyl)-1-piperazin-1-iumyl]methyl]-3-azaspiro[4.5]decane-2,4-dione IUPAC Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-dione Traditional Name: 3-[[4-(4-nitrophenyl)piperazin-1-ium-1-yl]methyl]-3-azaspiro[4.5]decane-2,4-quinone Formula: C20H27N4O4+ MolecularWeight: 387.45278

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2(CC1)CC(=O)N(C2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H26N4O4/c25-18-14-20(8-2-1-3-9-20)19(26)23(18)15-21-10-12-22(13-11-21)16-4-6-17(7-5-16)24(27)28/h4-7H,1-3,8-15H2/p+1