4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline

Systemtic Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline Openeye Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethyl-aniline CAS Name: 4-[[4-(2,5-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-N,N-dimethylaniline IUPAC Name: 4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]-N,N-dimethylaniline Traditional Name: [4-[[4-(2,5-dimethylphenyl)piperazin-1-ium-1-yl]methyl]phenyl]-dimethyl-amine Formula: C21H30N3+ MolecularWeight: 324.483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3/c1-17-5-6-18(2)21(15-17)24-13-11-23(12-14-24)16-19-7-9-20(10-8-19)22(3)4/h5-10,15H,11-14,16H2,1-4H3/p+1