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

Systemtic Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]propanamide Openeye Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]propanamide CAS Name: N-[4-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]phenyl]propanamide IUPAC Name: N-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]propanamide Traditional Name: N-[4-(4-piperonylpiperazin-4-ium-1-carbonyl)phenyl]propionamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c1-2-21(26)23-18-6-4-17(5-7-18)22(27)25-11-9-24(10-12-25)14-16-3-8-19-20(13-16)29-15-28-19/h3-8,13H,2,9-12,14-15H2,1H3,(H,23,26)/p+1