1,1-bis[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1,1-bis[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1,1-bis[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1,1-bis[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1,1-bis[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1,1-bis[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]piperidin-1-ium-4-ol Formula: C27H28Br2N3O3S2+ MolecularWeight: 666.46752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)C[N+]3(CCC(CC3)O)CC4=CSC(=N4)C5=C(C=CC(=C5)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C2=NC(=CS2)C[N+]3(CCC(CC3)O)CC4=CSC(=N4)C5=C(C=CC(=C5)Br)OC

InChI

InChI=1S/C27H28Br2N3O3S2/c1-34-24-5-3-17(28)11-22(24)26-30-19(15-36-26)13-32(9-7-21(33)8-10-32)14-20-16-37-27(31-20)23-12-18(29)4-6-25(23)35-2/h3-6,11-12,15-16,21,33H,7-10,13-14H2,1-2H3/q+1