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

Systemtic Name: 2-[2-[[4-(diphenylmethyl)piperazin-1-ium-1-yl]methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Openeye Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine CAS Name: 2-[2-[[4-(diphenylmethyl)-1-piperazin-1-iumyl]methyl]-1-pyrrolyl]-4,6-dimethylpyrimidine IUPAC Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-4,6-dimethylpyrimidine Traditional Name: 2-[2-[(4-benzhydrylpiperazin-1-ium-1-yl)methyl]pyrrol-1-yl]-4,6-dimethyl-pyrimidine Formula: C28H32N5+ MolecularWeight: 438.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=NC(=N1)N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H31N5/c1-22-20-23(2)30-28(29-22)33-15-9-14-26(33)21-31-16-18-32(19-17-31)27(24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-15,20,27H,16-19,21H2,1-2H3/p+1