2-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide

Systemtic Name: 2-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethoxy]benzamide Openeye Name: 2-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethoxy]benzamide CAS Name: 2-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethoxy]benzamide IUPAC Name: 2-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethoxy]benzamide Traditional Name: 2-[2-keto-2-[4-(3-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=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C(=O)N

InChI

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