[2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium

Systemtic Name: [2,6-bis(oxidanylidene)-1,3-diazinan-1-yl]methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methyl-azanium Openeye Name: (2,6-dioxohexahydropyrimidin-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium CAS Name: (2,6-dioxo-1,3-diazinan-1-yl)methyl-[(2-ethyl-3-benzofuranyl)methyl]-methylammonium IUPAC Name: (2,6-dioxo-1,3-diazinan-1-yl)methyl-[(2-ethyl-1-benzofuran-3-yl)methyl]-methylazanium Traditional Name: (2,6-diketohexahydropyrimidin-1-yl)methyl-[(2-ethylbenzofuran-3-yl)methyl]-methyl-ammonium Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=O)CCNC3=O

Isomeric SMILES

CCC1=C(C2=CC=CC=C2O1)C[NH+](C)CN3C(=O)CCNC3=O

InChI

InChI=1S/C17H21N3O3/c1-3-14-13(12-6-4-5-7-15(12)23-14)10-19(2)11-20-16(21)8-9-18-17(20)22/h4-7H,3,8-11H2,1-2H3,(H,18,22)/p+1