4-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole

Systemtic Name: 4-[[4-[(3-bromanyl-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole Openeye Name: 4-[[4-[(3-bromo-4-methoxy-phenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methyl-thiazole CAS Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]methyl]-2-methylthiazole IUPAC Name: 4-[[4-[(3-bromo-4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole Traditional Name: 4-[[4-(3-bromo-4-methoxy-benzyl)piperazin-1-ium-1-yl]methyl]-2-methyl-thiazole Formula: C17H23BrN3OS+ MolecularWeight: 397.35302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)CC3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C17H22BrN3OS/c1-13-19-15(12-23-13)11-21-7-5-20(6-8-21)10-14-3-4-17(22-2)16(18)9-14/h3-4,9,12H,5-8,10-11H2,1-2H3/p+1