N-(4-methoxyphenyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-thiazol-2-amine

Systemtic Name: N-(4-methoxyphenyl)-4-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1,3-thiazol-2-amine Openeye Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(4-methoxyphenyl)thiazol-2-amine CAS Name: N-(4-methoxyphenyl)-4-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-thiazolamine IUPAC Name: 4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-N-(4-methoxyphenyl)-1,3-thiazol-2-amine Traditional Name: [4-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]thiazol-2-yl]-(4-methoxyphenyl)amine Formula: C22H28N4OS+2 MolecularWeight: 396.54892

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NC(=CS2)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c1-27-21-9-7-19(8-10-21)23-22-24-20(17-28-22)16-26-13-11-25(12-14-26)15-18-5-3-2-4-6-18/h2-10,17H,11-16H2,1H3,(H,23,24)/p+2