4-(1,3-benzodioxol-5-ylmethyl)-N-(4-tert-butylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-tert-butylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-tert-butylphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-tert-butylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(4-tert-butylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-23(2,3)18-5-7-19(8-6-18)24-22(27)26-12-10-25(11-13-26)15-17-4-9-20-21(14-17)29-16-28-20/h4-9,14H,10-13,15-16H2,1-3H3,(H,24,27)/p+1