[4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone Openeye Name: [4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-yl-methanone CAS Name: [4-[[4-(2-nitrophenyl)-1-piperazin-1-iumyl]methyl]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidin-1-ylmethanone Traditional Name: [4-[[4-(2-nitrophenyl)piperazin-1-ium-1-yl]methyl]phenyl]-pyrrolidino-methanone Formula: C22H27N4O3+ MolecularWeight: 395.47478

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O3/c27-22(25-11-3-4-12-25)19-9-7-18(8-10-19)17-23-13-15-24(16-14-23)20-5-1-2-6-21(20)26(28)29/h1-2,5-10H,3-4,11-17H2/p+1