2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine

Systemtic Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine CAS Name: 2-[2-[[4-(2,3-dimethylphenyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethylpyrimidine Traditional Name: 2-[2-[[4-(2,3-dimethylphenyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=NC(=CC(=N4)C)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC=CN3C4=NC(=CC(=N4)C)C)C

InChI

InChI=1S/C23H29N5/c1-17-7-5-9-22(20(17)4)27-13-11-26(12-14-27)16-21-8-6-10-28(21)23-24-18(2)15-19(3)25-23/h5-10,15H,11-14,16H2,1-4H3/p+1