2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzothiazole

Systemtic Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzothiazole Openeye Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzothiazole CAS Name: 2-[(1R)-1-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]ethyl]-1,3-benzothiazole IUPAC Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzothiazole Traditional Name: 2-[(1R)-1-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethyl]-1,3-benzothiazole Formula: C20H24N3OS+ MolecularWeight: 354.48906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C4=CC=CC=C4OC

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2S1)[NH+]3CCN(CC3)C4=CC=CC=C4OC

InChI

InChI=1S/C20H23N3OS/c1-15(20-21-16-7-3-6-10-19(16)25-20)22-11-13-23(14-12-22)17-8-4-5-9-18(17)24-2/h3-10,15H,11-14H2,1-2H3/p+1/t15-/m1/s1