[2-[[4-chloranyl-6-(4-phenylbutoxy)pyrimidin-2-yl]amino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium

Systemtic Name: [2-[[4-chloranyl-6-(4-phenylbutoxy)pyrimidin-2-yl]amino]-4-oxidanyl-4-oxidanylidene-butyl]-trimethyl-azanium Openeye Name: [2-[[4-chloro-6-(4-phenylbutoxy)pyrimidin-2-yl]amino]-4-hydroxy-4-oxo-butyl]-trimethyl-ammonium CAS Name: [2-[[4-chloro-6-(4-phenylbutoxy)-2-pyrimidinyl]amino]-4-hydroxy-4-oxobutyl]-trimethylammonium IUPAC Name: [2-[[4-chloro-6-(4-phenylbutoxy)pyrimidin-2-yl]amino]-4-hydroxy-4-oxobutyl]-trimethylazanium Traditional Name: [2-[[4-chloro-6-(4-phenylbutoxy)pyrimidin-2-yl]amino]-4-hydroxy-4-keto-butyl]-trimethyl-ammonium Formula: C21H30ClN4O3+ MolecularWeight: 421.9409

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)NC1=NC(=CC(=N1)Cl)OCCCCC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CC(CC(=O)O)NC1=NC(=CC(=N1)Cl)OCCCCC2=CC=CC=C2

InChI

InChI=1S/C21H29ClN4O3/c1-26(2,3)15-17(13-20(27)28)23-21-24-18(22)14-19(25-21)29-12-8-7-11-16-9-5-4-6-10-16/h4-6,9-10,14,17H,7-8,11-13,15H2,1-3H3,(H-,23,24,25,27,28)/p+1