[(2R)-2-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium

Systemtic Name: [(2R)-2-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]azanium Openeye Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]ammonium CAS Name: [(2R)-2-(4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]ammonium IUPAC Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(4-methylphenyl)ethyl]azanium Traditional Name: [(2R)-2-(4-benzylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](C[NH3+])N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N3/c1-17-7-9-19(10-8-17)20(15-21)23-13-11-22(12-14-23)16-18-5-3-2-4-6-18/h2-10,20H,11-16,21H2,1H3/p+2/t20-/m0/s1