4-[[4-[(2-bromophenyl)amino]piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol

Systemtic Name: 4-[[4-[(2-bromophenyl)amino]piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Openeye Name: 4-[[4-(2-bromoanilino)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol CAS Name: 4-[[4-(2-bromoanilino)-1-piperidin-1-iumyl]methyl]-2,6-dimethoxyphenol IUPAC Name: 4-[[4-(2-bromoanilino)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxyphenol Traditional Name: 4-[[4-(2-bromoanilino)piperidin-1-ium-1-yl]methyl]-2,6-dimethoxy-phenol Formula: C20H26BrN2O3+ MolecularWeight: 422.33604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)NC3=CC=CC=C3Br

Isomeric SMILES

COC1=CC(=CC(=C1O)OC)C[NH+]2CCC(CC2)NC3=CC=CC=C3Br

InChI

InChI=1S/C20H25BrN2O3/c1-25-18-11-14(12-19(26-2)20(18)24)13-23-9-7-15(8-10-23)22-17-6-4-3-5-16(17)21/h3-6,11-12,15,22,24H,7-10,13H2,1-2H3/p+1