1-cycloheptyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: 1-cycloheptyl-5-[[1-(phenylmethyl)piperidin-1-ium-4-yl]iminomethyl]-1,3-diazinane-2,4,6-trione Openeye Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-cycloheptyl-hexahydropyrimidine-2,4,6-trione CAS Name: 1-cycloheptyl-5-[[1-(phenylmethyl)-4-piperidin-1-iumyl]iminomethyl]-1,3-diazinane-2,4,6-trione IUPAC Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-cycloheptyl-1,3-diazinane-2,4,6-trione Traditional Name: 5-[(1-benzylpiperidin-1-ium-4-yl)iminomethyl]-1-cycloheptyl-barbituric acid Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)N2C(=O)C(C(=O)NC2=O)C=NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)N2C(=O)C(C(=O)NC2=O)C=NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H32N4O3/c29-22-21(23(30)28(24(31)26-22)20-10-6-1-2-7-11-20)16-25-19-12-14-27(15-13-19)17-18-8-4-3-5-9-18/h3-5,8-9,16,19-21H,1-2,6-7,10-15,17H2,(H,26,29,31)/p+1