(2R)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: (2R)-2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: (2R)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: (2R)-2-[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: (2R)-2-[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: (2R)-2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]-1-pyrrolidino-propan-1-one Formula: C17H24ClN4O3+ MolecularWeight: 367.85046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23ClN4O3/c1-13(17(23)21-6-2-3-7-21)19-8-10-20(11-9-19)15-5-4-14(18)12-16(15)22(24)25/h4-5,12-13H,2-3,6-11H2,1H3/p+1/t13-/m1/s1