4-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethyl-6-methyl-phenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethyl-6-methyl-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethyl-6-methyl-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethyl-6-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(2-ethyl-6-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H27N3O3/c1-3-18-6-4-5-16(2)21(18)23-22(26)25-11-9-24(10-12-25)14-17-7-8-19-20(13-17)28-15-27-19/h4-8,13H,3,9-12,14-15H2,1-2H3,(H,23,26)/p+1