2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine

Systemtic Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[(2,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[(2,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-(2,5-dimethylbenzyl)piperazin-4-ium-1-yl]pyrimidine Formula: C17H23N4+ MolecularWeight: 283.39132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC1=CC(=C(C=C1)C)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C17H22N4/c1-14-4-5-15(2)16(12-14)13-20-8-10-21(11-9-20)17-18-6-3-7-19-17/h3-7,12H,8-11,13H2,1-2H3/p+1