[1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol

Systemtic Name: [1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Openeye Name: [1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol CAS Name: [1-[[1-(4,6-dimethyl-2-pyrimidinyl)-2-pyrrolyl]methyl]-4-piperidin-1-iumyl]-diphenylmethanol IUPAC Name: [1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenylmethanol Traditional Name: [1-[[1-(4,6-dimethylpyrimidin-2-yl)pyrrol-2-yl]methyl]piperidin-1-ium-4-yl]-diphenyl-methanol Formula: C29H33N4O+ MolecularWeight: 453.59852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32N4O/c1-22-20-23(2)31-28(30-22)33-17-9-14-27(33)21-32-18-15-26(16-19-32)29(34,24-10-5-3-6-11-24)25-12-7-4-8-13-25/h3-14,17,20,26,34H,15-16,18-19,21H2,1-2H3/p+1