3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]-N-(4-ethanoylphenyl)propanamide Openeye Name: N-(4-acetylphenyl)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanamide CAS Name: N-(4-acetylphenyl)-3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]propanamide IUPAC Name: N-(4-acetylphenyl)-3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]propanamide Traditional Name: N-(4-acetylphenyl)-3-(4-piperonylpiperazin-1-ium-1-yl)propionamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CC[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O4/c1-17(27)19-3-5-20(6-4-19)24-23(28)8-9-25-10-12-26(13-11-25)15-18-2-7-21-22(14-18)30-16-29-21/h2-7,14H,8-13,15-16H2,1H3,(H,24,28)/p+1