2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]-1-[4-[(1R)-1-phenylethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-[4-(o-tolyl)piperazin-1-ium-1-yl]-1-[4-[(1R)-1-phenylethyl]piperazin-4-ium-1-yl]ethanone Formula: C25H36N4O+2 MolecularWeight: 408.57954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)C(C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC(=O)N3CC[NH+](CC3)[C@H](C)C4=CC=CC=C4

InChI

InChI=1S/C25H34N4O/c1-21-8-6-7-11-24(21)28-14-12-26(13-15-28)20-25(30)29-18-16-27(17-19-29)22(2)23-9-4-3-5-10-23/h3-11,22H,12-20H2,1-2H3/p+2/t22-/m1/s1