N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O5+ MolecularWeight: 415.46288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCN(CC2)C3=CC=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O5/c1-15-12-19(25(27)28)20(30-3)13-18(15)22-21(26)14-23-8-10-24(11-9-23)16-4-6-17(29-2)7-5-16/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,26)/p+1