N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-nitro-benzamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-nitro-benzamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-nitro-benzamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]-3-nitrobenzamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-nitrobenzamide Traditional Name: N-[(2R)-2-(4-methoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-nitro-benzamide Formula: C21H27N4O4+ MolecularWeight: 399.46348

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

Isomeric SMILES

C[NH+]1CCN(CC1)[C@@H](CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N4O4/c1-23-10-12-24(13-11-23)20(16-6-8-19(29-2)9-7-16)15-22-21(26)17-4-3-5-18(14-17)25(27)28/h3-9,14,20H,10-13,15H2,1-2H3,(H,22,26)/p+1/t20-/m0/s1