1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol

Systemtic Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol Openeye Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-naphthalen-2-ol CAS Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-7-methoxy-2-naphthalenol IUPAC Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxynaphthalen-2-ol Traditional Name: 1-[[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-7-methoxy-2-naphthol Formula: C25H29N2O6S+ MolecularWeight: 485.57256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=CC(=C2C[NH+]3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCCO5)O

InChI

InChI=1S/C25H28N2O6S/c1-31-19-5-3-18-4-7-23(28)22(21(18)15-19)17-26-9-11-27(12-10-26)34(29,30)20-6-8-24-25(16-20)33-14-2-13-32-24/h3-8,15-16,28H,2,9-14,17H2,1H3/p+1