2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole

Systemtic Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Openeye Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole CAS Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]-1,3-benzothiazole IUPAC Name: 2-[[4-[(3,4-dimethoxyphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]-1,3-benzothiazole Traditional Name: 2-[(4-veratrylpiperazine-1,4-diium-1-yl)methyl]-1,3-benzothiazole Formula: C21H27N3O2S+2 MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CC[NH+](CC2)CC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H25N3O2S/c1-25-18-8-7-16(13-19(18)26-2)14-23-9-11-24(12-10-23)15-21-22-17-5-3-4-6-20(17)27-21/h3-8,13H,9-12,14-15H2,1-2H3/p+2