2-(benzotriazol-1-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(benzotriazol-1-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(benzotriazol-1-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(1-benzotriazolyl)-1-[4-[(4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(benzotriazol-1-yl)-1-[4-[(4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(benzotriazol-1-yl)-1-(4-p-anisylpiperazin-4-ium-1-yl)ethanone Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

COC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H23N5O2/c1-27-17-8-6-16(7-9-17)14-23-10-12-24(13-11-23)20(26)15-25-19-5-3-2-4-18(19)21-22-25/h2-9H,10-15H2,1H3/p+1