(2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide

Systemtic Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propanamide Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: (2R)-N-(2-methoxy-5-nitrophenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]propanamide IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C21H28N4O4+2 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])OC)[NH+]2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H26N4O4/c1-16(21(26)22-19-14-18(25(27)28)8-9-20(19)29-2)24-12-10-23(11-13-24)15-17-6-4-3-5-7-17/h3-9,14,16H,10-13,15H2,1-2H3,(H,22,26)/p+2/t16-/m1/s1