2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]indene-1,3-dione

Systemtic Name: 2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-[(1-oxidanidylpyridin-1-ium-4-yl)methyl]indene-1,3-dione Openeye Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methyl]indane-1,3-dione CAS Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-oxido-4-pyridin-1-iumyl)methyl]indene-1,3-dione IUPAC Name: 2-(3-cyclopentyloxy-4-methoxyphenyl)-2-[(1-oxidopyridin-1-ium-4-yl)methyl]indene-1,3-dione Traditional Name: 2-[3-(cyclopentoxy)-4-methoxy-phenyl]-2-[(1-oxidopyridin-1-ium-4-yl)methyl]indane-1,3-quinone Formula: C27H25NO5 MolecularWeight: 443.4911

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=[N+](C=C4)[O-])OC5CCCC5

Isomeric SMILES

COC1=C(C=C(C=C1)C2(C(=O)C3=CC=CC=C3C2=O)CC4=CC=[N+](C=C4)[O-])OC5CCCC5

InChI

InChI=1S/C27H25NO5/c1-32-23-11-10-19(16-24(23)33-20-6-2-3-7-20)27(17-18-12-14-28(31)15-13-18)25(29)21-8-4-5-9-22(21)26(27)30/h4-5,8-16,20H,2-3,6-7,17H2,1H3