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

Systemtic Name: [4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Openeye Name: [4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylammonium CAS Name: [4-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]phenyl]methylammonium IUPAC Name: [4-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]methylazanium Traditional Name: [4-[[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=C(C=C3)C[NH3+])C

Isomeric SMILES

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

InChI

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