N-(3,4-diethoxyphenyl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[4-(2-methoxy-5-methyl-benzyl)piperazin-1-ium-1-yl]acetamide Formula: C25H36N3O4+ MolecularWeight: 442.57104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)CC3=C(C=CC(=C3)C)OC)OCC

InChI

InChI=1S/C25H35N3O4/c1-5-31-23-10-8-21(16-24(23)32-6-2)26-25(29)18-28-13-11-27(12-14-28)17-20-15-19(3)7-9-22(20)30-4/h7-10,15-16H,5-6,11-14,17-18H2,1-4H3,(H,26,29)/p+1