[3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium

Systemtic Name: [3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [3-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [3-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]benzyl]ammonium Formula: C20H29N3+2 MolecularWeight: 311.46436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3/c1-16-5-3-8-20(17(16)2)23-11-9-22(10-12-23)15-19-7-4-6-18(13-19)14-21/h3-8,13H,9-12,14-15,21H2,1-2H3/p+2