(2R)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(2-nitrophenyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(2-nitrophenyl)piperazin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C17H25N4O3+ MolecularWeight: 333.4054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCCC1)[NH+]2CCN(CC2)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C17H24N4O3/c1-14(17(22)20-8-4-5-9-20)18-10-12-19(13-11-18)15-6-2-3-7-16(15)21(23)24/h2-3,6-7,14H,4-5,8-13H2,1H3/p+1/t14-/m1/s1