1-(phenylmethyl)-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide

Systemtic Name: 1-(phenylmethyl)-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide Openeye Name: 5-allyl-1-benzyl-5-isopropyl-3-(2-piperidin-1-ium-1-ylethyl)hexahydropyrimidine-2,4,6-trione bromide CAS Name: 1-(phenylmethyl)-3-[2-(1-piperidin-1-iumyl)ethyl]-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide IUPAC Name: 1-benzyl-3-(2-piperidin-1-ium-1-ylethyl)-5-propan-2-yl-5-prop-2-enyl-1,3-diazinane-2,4,6-trione bromide Traditional Name: 5-allyl-1-benzyl-5-isopropyl-3-(2-piperidin-1-ium-1-ylethyl)barbituric acid bromide Formula: C24H34BrN3O3 MolecularWeight: 492.44906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+]3CCCCC3)CC=C.[Br-]

Isomeric SMILES

CC(C)C1(C(=O)N(C(=O)N(C1=O)CC2=CC=CC=C2)CC[NH+]3CCCCC3)CC=C.[Br-]

InChI

InChI=1S/C24H33N3O3.BrH/c1-4-13-24(19(2)3)21(28)26(17-16-25-14-9-6-10-15-25)23(30)27(22(24)29)18-20-11-7-5-8-12-20;/h4-5,7-8,11-12,19H,1,6,9-10,13-18H2,2-3H3;1H