N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propyl]-4-nitro-benzamide

Systemtic Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propyl]-4-nitro-benzamide Openeye Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propyl]-4-nitro-benzamide CAS Name: N-[2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]-2-methylpropyl]-4-nitrobenzamide IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-methylpropyl]-4-nitrobenzamide Traditional Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]-2-methyl-propyl]-4-nitro-benzamide Formula: C22H29N4O4+ MolecularWeight: 413.49006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

CC(C)(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

InChI=1S/C22H28N4O4/c1-22(2,16-23-21(27)17-8-10-18(11-9-17)26(28)29)25-14-12-24(13-15-25)19-6-4-5-7-20(19)30-3/h4-11H,12-16H2,1-3H3,(H,23,27)/p+1