2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1,3-benzoxazol-2-ylthio)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(1,3-benzoxazol-2-ylthio)-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O3S/c1-26-17-8-6-16(7-9-17)14-23-10-12-24(13-11-23)20(25)15-28-21-22-18-4-2-3-5-19(18)27-21/h2-9H,10-15H2,1H3/p+1