1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(2-propan-2-ylphenyl)amino]ethanone

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-[(2-propan-2-ylphenyl)amino]ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-isopropylanilino)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-propan-2-ylanilino)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-propan-2-ylanilino)ethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-isopropylanilino)ethanone Formula: C22H30N3O+ MolecularWeight: 352.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NCC(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C22H29N3O/c1-18(2)20-10-6-7-11-21(20)23-16-22(26)25-14-12-24(13-15-25)17-19-8-4-3-5-9-19/h3-11,18,23H,12-17H2,1-2H3/p+1