(5S)-5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione

Systemtic Name: (5S)-5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione Openeye Name: (5S)-5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]hexahydropyrimidine-2,4,6-trione CAS Name: (5S)-5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenyl-1-piperazin-1-iumyl)butyl]-1,3-diazinane-2,4,6-trione IUPAC Name: (5S)-5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]-1,3-diazinane-2,4,6-trione Traditional Name: (5S)-5-ethyl-1-methyl-5-phenyl-3-[4-(4-phenylpiperazin-1-ium-1-yl)butyl]barbituric acid Formula: C27H35N4O3+ MolecularWeight: 463.5918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(C(=O)N(C(=O)N(C1=O)CCCC[NH+]2CCN(CC2)C3=CC=CC=C3)C)C4=CC=CC=C4

Isomeric SMILES

CC[C@@]1(C(=O)N(C(=O)N(C1=O)CCCC[NH+]2CCN(CC2)C3=CC=CC=C3)C)C4=CC=CC=C4

InChI

InChI=1S/C27H34N4O3/c1-3-27(22-12-6-4-7-13-22)24(32)28(2)26(34)31(25(27)33)17-11-10-16-29-18-20-30(21-19-29)23-14-8-5-9-15-23/h4-9,12-15H,3,10-11,16-21H2,1-2H3/p+1/t27-/m0/s1