2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone

Systemtic Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(m-tolylmethyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone CAS Name: 2-[4-[(3-methylphenyl)methyl]-1-piperazin-1-iumyl]-1-(4-phenyl-1-piperazinyl)ethanone IUPAC Name: 2-[4-[(3-methylphenyl)methyl]piperazin-1-ium-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone Traditional Name: 2-[4-(3-methylbenzyl)piperazin-1-ium-1-yl]-1-(4-phenylpiperazino)ethanone Formula: C24H33N4O+ MolecularWeight: 393.54502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CC[NH+](CC2)CC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H32N4O/c1-21-6-5-7-22(18-21)19-25-10-12-26(13-11-25)20-24(29)28-16-14-27(15-17-28)23-8-3-2-4-9-23/h2-9,18H,10-17,19-20H2,1H3/p+1