1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

Systemtic Name: 1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]carbonyl-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Openeye Name: 1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone CAS Name: 1-[5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-oxomethyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone IUPAC Name: 1-[5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone Traditional Name: 1-[2,4-dimethyl-5-(4-piperonylpiperazin-4-ium-1-carbonyl)-1H-pyrrol-3-yl]ethanone Formula: C21H26N3O4+ MolecularWeight: 384.44884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H25N3O4/c1-13-19(15(3)25)14(2)22-20(13)21(26)24-8-6-23(7-9-24)11-16-4-5-17-18(10-16)28-12-27-17/h4-5,10,22H,6-9,11-12H2,1-3H3/p+1