1-[1-[4-[(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methoxy]-2-methoxy-phenyl]carbonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one

Systemtic Name: 1-[1-[4-[(2,4-dimethyl-1-oxidanidyl-pyridin-1-ium-3-yl)methoxy]-2-methoxy-phenyl]carbonylpiperidin-4-yl]-4H-3,1-benzoxazin-2-one Openeye Name: 1-[1-[4-[(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methoxy]-2-methoxy-benzoyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one CAS Name: 1-[1-[[4-[(2,4-dimethyl-1-oxido-3-pyridin-1-iumyl)methoxy]-2-methoxyphenyl]-oxomethyl]-4-piperidinyl]-4H-3,1-benzoxazin-2-one IUPAC Name: 1-[1-[4-[(2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)methoxy]-2-methoxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one Traditional Name: 1-[1-[4-[(2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)methoxy]-2-methoxy-benzoyl]-4-piperidyl]-4H-3,1-benzoxazin-2-one Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+](C=C1)[O-])C)COC2=CC(=C(C=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)OC

Isomeric SMILES

CC1=C(C(=[N+](C=C1)[O-])C)COC2=CC(=C(C=C2)C(=O)N3CCC(CC3)N4C5=CC=CC=C5COC4=O)OC

InChI

InChI=1S/C29H31N3O6/c1-19-10-15-31(35)20(2)25(19)18-37-23-8-9-24(27(16-23)36-3)28(33)30-13-11-22(12-14-30)32-26-7-5-4-6-21(26)17-38-29(32)34/h4-10,15-16,22H,11-14,17-18H2,1-3H3