4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-(1-phenylpropoxy)-1,4-benzoxazin-3-one

Systemtic Name: 4-[3-[methyl-(1-oxidanidylpyridin-1-ium-2-yl)amino]propyl]-7-(1-phenylpropoxy)-1,4-benzoxazin-3-one Openeye Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-(1-phenylpropoxy)-1,4-benzoxazin-3-one CAS Name: 4-[3-[methyl-(1-oxido-2-pyridin-1-iumyl)amino]propyl]-7-(1-phenylpropoxy)-1,4-benzoxazin-3-one IUPAC Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-(1-phenylpropoxy)-1,4-benzoxazin-3-one Traditional Name: 4-[3-[methyl-(1-oxidopyridin-1-ium-2-yl)amino]propyl]-7-(1-phenylpropoxy)-1,4-benzoxazin-3-one Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)OC2=CC3=C(C=C2)N(C(=O)CO3)CCCN(C)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)OC2=CC3=C(C=C2)N(C(=O)CO3)CCCN(C)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C26H29N3O4/c1-3-23(20-10-5-4-6-11-20)33-21-13-14-22-24(18-21)32-19-26(30)28(22)16-9-15-27(2)25-12-7-8-17-29(25)31/h4-8,10-14,17-18,23H,3,9,15-16,19H2,1-2H3