2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-keto-2-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]ethoxy]benzamide Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C21H25N3O3/c1-16-6-2-3-7-17(16)14-23-10-12-24(13-11-23)20(25)15-27-19-9-5-4-8-18(19)21(22)26/h2-9H,10-15H2,1H3,(H2,22,26)/p+1