2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide

Systemtic Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(o-tolylmethyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-[(2-methylphenyl)methyl]-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-[(2-methylphenyl)methyl]piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(2-methylbenzyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C23H32N3O4+ MolecularWeight: 414.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=CC=C1CN2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C23H31N3O4/c1-17-7-5-6-8-18(17)15-25-9-11-26(12-10-25)16-22(27)24-19-13-20(28-2)23(30-4)21(14-19)29-3/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,24,27)/p+1