1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanone Formula: C25H31N4O2S+ MolecularWeight: 451.60424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)CC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

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