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

Systemtic Name: N-(4-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(p-tolyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide CAS Name: N-(4-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(4-methylphenyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(p-tolyl)-4-(2,3,4-trimethoxybenzyl)piperazin-4-ium-1-carboxamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=C(C(=C(C=C3)OC)OC)OC

InChI

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