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

Systemtic Name: 4,6-dimethyl-2-[2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]pyrimidine Openeye Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine CAS Name: 4,6-dimethyl-2-[2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]pyrimidine IUPAC Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-4,6-dimethylpyrimidine Traditional Name: 2-[2-[(4-benzylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C22H27N5/c1-18-15-19(2)24-22(23-18)27-10-6-9-21(27)17-26-13-11-25(12-14-26)16-20-7-4-3-5-8-20/h3-10,15H,11-14,16-17H2,1-2H3/p+1