4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2,4-dimethoxyphenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H25N3O5/c1-26-16-4-5-17(19(12-16)27-2)22-21(25)24-9-7-23(8-10-24)13-15-3-6-18-20(11-15)29-14-28-18/h3-6,11-12H,7-10,13-14H2,1-2H3,(H,22,25)/p+1