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

Systemtic Name: trimethyl-[4-oxidanyl-4-oxidanylidene-2-[[4-(4-phenylbutoxy)pyrimidin-2-yl]amino]butyl]azanium Openeye Name: [4-hydroxy-4-oxo-2-[[4-(4-phenylbutoxy)pyrimidin-2-yl]amino]butyl]-trimethyl-ammonium CAS Name: [4-hydroxy-4-oxo-2-[[4-(4-phenylbutoxy)-2-pyrimidinyl]amino]butyl]-trimethylammonium IUPAC Name: [4-hydroxy-4-oxo-2-[[4-(4-phenylbutoxy)pyrimidin-2-yl]amino]butyl]-trimethylazanium Traditional Name: [4-hydroxy-4-keto-2-[[4-(4-phenylbutoxy)pyrimidin-2-yl]amino]butyl]-trimethyl-ammonium Formula: C21H31N4O3+ MolecularWeight: 387.49584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3/c1-25(2,3)16-18(15-20(26)27)23-21-22-13-12-19(24-21)28-14-8-7-11-17-9-5-4-6-10-17/h4-6,9-10,12-13,18H,7-8,11,14-16H2,1-3H3,(H-,22,23,24,26,27)/p+1