2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-1-iumyl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-ium-1-yl]-N-cyclopropyl-N-p-anisyl-acetamide Formula: C25H31N4O2S+ MolecularWeight: 451.60424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=C(C=C1)CN(C2CC2)C(=O)C[NH+]3CCN(CC3)CC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H30N4O2S/c1-31-21-10-6-19(7-11-21)16-29(20-8-9-20)25(30)18-28-14-12-27(13-15-28)17-24-26-22-4-2-3-5-23(22)32-24/h2-7,10-11,20H,8-9,12-18H2,1H3/p+1