N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-piperonyl-acetamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCC2=CC3=C(C=C2)OCO3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N3O3/c25-21(22-13-18-6-7-19-20(12-18)27-16-26-19)15-24-10-8-23(9-11-24)14-17-4-2-1-3-5-17/h1-7,12H,8-11,13-16H2,(H,22,25)/p+1