5-[C-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione

Systemtic Name: 5-[C-ethyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]carbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Openeye Name: 1-allyl-5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-ethyl-carbonimidoyl]hexahydropyrimidine-2,4,6-trione CAS Name: 5-[1-[[1-(phenylmethyl)-4-piperidin-1-iumyl]imino]propyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-ethylcarbonimidoyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione Traditional Name: 1-allyl-5-[N-(1-benzylpiperidin-1-ium-4-yl)-C-ethyl-carbonimidoyl]barbituric acid Formula: C22H29N4O3+ MolecularWeight: 397.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=NC1CC[NH+](CC1)CC2=CC=CC=C2)C3C(=O)NC(=O)N(C3=O)CC=C

Isomeric SMILES

CCC(=NC1CC[NH+](CC1)CC2=CC=CC=C2)C3C(=O)NC(=O)N(C3=O)CC=C

InChI

InChI=1S/C22H28N4O3/c1-3-12-26-21(28)19(20(27)24-22(26)29)18(4-2)23-17-10-13-25(14-11-17)15-16-8-6-5-7-9-16/h3,5-9,17,19H,1,4,10-15H2,2H3,(H,24,27,29)/p+1