1-(diphenylmethyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium

Systemtic Name: 1-(diphenylmethyl)-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Openeye Name: 1-benzhydryl-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium CAS Name: 1-(diphenylmethyl)-4-[[1-(6-methyl-2-pyridinyl)-2-pyrrolyl]methyl]piperazin-4-ium IUPAC Name: 1-benzhydryl-4-[[1-(6-methylpyridin-2-yl)pyrrol-2-yl]methyl]piperazin-4-ium Traditional Name: 1-benzhydryl-4-[[1-(6-methyl-2-pyridyl)pyrrol-2-yl]methyl]piperazin-4-ium Formula: C28H31N4+ MolecularWeight: 423.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=CC=C1)N2C=CC=C2C[NH+]3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H30N4/c1-23-10-8-16-27(29-23)32-17-9-15-26(32)22-30-18-20-31(21-19-30)28(24-11-4-2-5-12-24)25-13-6-3-7-14-25/h2-17,28H,18-22H2,1H3/p+1