N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[4-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[4-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[4-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]phenyl]-4-ethoxy-3-nitro-benzamide Formula: C26H28ClN4O4+ MolecularWeight: 495.97792

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)CC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H27ClN4O4/c1-2-35-25-12-7-19(17-24(25)31(33)34)26(32)28-21-8-10-22(11-9-21)30-15-13-29(14-16-30)18-20-5-3-4-6-23(20)27/h3-12,17H,2,13-16,18H2,1H3,(H,28,32)/p+1