2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(7-methoxy-2-oxidanyl-naphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-hydroxy-7-methoxy-1-naphthalenyl)methyl]-4-piperidin-1-iumyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-hydroxy-7-methoxynaphthalen-1-yl)methyl]piperidin-1-ium-4-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-yl-[1-[(2-hydroxy-7-methoxy-1-naphthyl)methyl]piperidin-1-ium-4-yl]methanone Formula: C26H28NO5+ MolecularWeight: 434.50422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCC(CC3)C(=O)C4=CC5=C(C=C4)OCCO5)O

InChI

InChI=1S/C26H27NO5/c1-30-20-5-2-17-3-6-23(28)22(21(17)15-20)16-27-10-8-18(9-11-27)26(29)19-4-7-24-25(14-19)32-13-12-31-24/h2-7,14-15,18,28H,8-13,16H2,1H3/p+1