(4-ethoxy-3-nitro-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-ethoxy-3-nitro-phenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (4-ethoxy-3-nitro-phenyl)-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (4-ethoxy-3-nitrophenyl)-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (4-ethoxy-3-nitrophenyl)-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (4-ethoxy-3-nitro-phenyl)-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]methanone Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC=CC(=C3)C)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O4/c1-3-28-20-8-7-18(14-19(20)24(26)27)21(25)23-11-9-22(10-12-23)15-17-6-4-5-16(2)13-17/h4-8,13-14H,3,9-12,15H2,1-2H3/p+1