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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-propyl-3-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]carbonyl-pyridin-4-one Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-propyl-3-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-3-[oxo-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]methyl]-2-propyl-4-pyridinone IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-6-methyl-2-propyl-3-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-carbonyl]pyridin-4-one Traditional Name: 6-methyl-1-piperonyl-2-propyl-3-[4-(3-pyridylmethyl)piperazin-4-ium-1-carbonyl]-4-pyridone Formula: C28H33N4O4+ MolecularWeight: 489.58602

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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=CN=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H32N4O4/c1-3-5-23-27(28(34)31-12-10-30(11-13-31)17-22-6-4-9-29-16-22)24(33)14-20(2)32(23)18-21-7-8-25-26(15-21)36-19-35-25/h4,6-9,14-16H,3,5,10-13,17-19H2,1-2H3/p+1