2-methoxy-6-[[4-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 2-methoxy-6-[[4-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 2-[[4-[(2-hydroxy-3-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-[[4-[(2-hydroxy-3-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-[[4-[(2-hydroxy-3-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-[[4-(2-hydroxy-3-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C20H27N2O4+ MolecularWeight: 359.43938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)C[NH+]2CCN(CC2)CC3=C(C(=CC=C3)OC)O

Isomeric SMILES

COC1=CC=CC(=C1O)C[NH+]2CCN(CC2)CC3=C(C(=CC=C3)OC)O

InChI

InChI=1S/C20H26N2O4/c1-25-17-7-3-5-15(19(17)23)13-21-9-11-22(12-10-21)14-16-6-4-8-18(26-2)20(16)24/h3-8,23-24H,9-14H2,1-2H3/p+1