[5-(1,3-diethanoyl-2H-perimidin-2-yl)-2-oxidanyl-phenyl]methyl-diethyl-azanium

Systemtic Name: [5-(1,3-diethanoyl-2H-perimidin-2-yl)-2-oxidanyl-phenyl]methyl-diethyl-azanium Openeye Name: [5-(1,3-diacetyl-2H-perimidin-2-yl)-2-hydroxy-phenyl]methyl-diethyl-ammonium CAS Name: [5-(1,3-diacetyl-2H-perimidin-2-yl)-2-hydroxyphenyl]methyl-diethylammonium IUPAC Name: [5-(1,3-diacetyl-2H-perimidin-2-yl)-2-hydroxyphenyl]methyl-diethylazanium Traditional Name: [5-(1,3-diacetyl-2H-perimidin-2-yl)-2-hydroxy-benzyl]-diethyl-ammonium Formula: C26H30N3O3+ MolecularWeight: 432.5347

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C(C=CC(=C1)C2N(C3=CC=CC4=C3C(=CC=C4)N2C(=O)C)C(=O)C)O

Isomeric SMILES

CC[NH+](CC)CC1=C(C=CC(=C1)C2N(C3=CC=CC4=C3C(=CC=C4)N2C(=O)C)C(=O)C)O

InChI

InChI=1S/C26H29N3O3/c1-5-27(6-2)16-21-15-20(13-14-24(21)32)26-28(17(3)30)22-11-7-9-19-10-8-12-23(25(19)22)29(26)18(4)31/h7-15,26,32H,5-6,16H2,1-4H3/p+1