1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2-propyl-pyridin-4-one

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2-propyl-pyridin-4-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-2-propyl-pyridin-4-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2-propyl-4-pyridinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-2-propylpyridin-4-one Traditional Name: 3-(4-benzylpiperazin-4-ium-1-carbonyl)-6-methyl-1-piperonyl-2-propyl-4-pyridone Formula: C29H34N3O4+ MolecularWeight: 488.59796

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCCC1=C(C(=O)C=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H33N3O4/c1-3-7-24-28(29(34)31-14-12-30(13-15-31)18-22-8-5-4-6-9-22)25(33)16-21(2)32(24)19-23-10-11-26-27(17-23)36-20-35-26/h4-6,8-11,16-17H,3,7,12-15,18-20H2,1-2H3/p+1