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

Systemtic Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[4-(m-tolyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[4-(3-methylphenyl)-1-piperazin-1-iumyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[4-(3-methylphenyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[4-(m-tolyl)piperazin-1-ium-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C(=C3)OC)OC)OC

InChI

InChI=1S/C22H29N3O4/c1-16-6-5-7-18(12-16)25-10-8-24(9-11-25)15-21(26)23-17-13-19(27-2)22(29-4)20(14-17)28-3/h5-7,12-14H,8-11,15H2,1-4H3,(H,23,26)/p+1