N-(3,4-diethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(3,4-diethoxyphenyl)-2-[4-(o-tolylmethyl)piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(3,4-diethoxyphenyl)-2-[4-[(2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(3,4-diethoxyphenyl)-2-[4-(2-methylbenzyl)piperazine-1,4-diium-1-yl]acetamide Formula: C24H35N3O3+2 MolecularWeight: 413.553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3C)OCC

InChI

InChI=1S/C24H33N3O3/c1-4-29-22-11-10-21(16-23(22)30-5-2)25-24(28)18-27-14-12-26(13-15-27)17-20-9-7-6-8-19(20)3/h6-11,16H,4-5,12-15,17-18H2,1-3H3,(H,25,28)/p+2