2-[(2,6-dimethylphenyl)amino]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[(2,6-dimethylphenyl)amino]-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,6-dimethylanilino)ethanone CAS Name: 2-(2,6-dimethylanilino)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,6-dimethylanilino)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2,6-dimethylanilino)ethanone Formula: C21H28N3O+ MolecularWeight: 338.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O/c1-17-7-6-8-18(2)21(17)22-15-20(25)24-13-11-23(12-14-24)16-19-9-4-3-5-10-19/h3-10,22H,11-16H2,1-2H3/p+1