[1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol

Systemtic Name: [1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[[2-(3-methylphenyl)-5-pyrimidinyl]methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[[2-(3-methylphenyl)pyrimidin-5-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[[2-(m-tolyl)pyrimidin-5-yl]methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Formula: C27H34N3O+ MolecularWeight: 416.57836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CCC(CC3)(CCCC4=CC=CC=C4)CO

Isomeric SMILES

CC1=CC=CC(=C1)C2=NC=C(C=N2)C[NH+]3CCC(CC3)(CCCC4=CC=CC=C4)CO

InChI

InChI=1S/C27H33N3O/c1-22-7-5-11-25(17-22)26-28-18-24(19-29-26)20-30-15-13-27(21-31,14-16-30)12-6-10-23-8-3-2-4-9-23/h2-5,7-9,11,17-19,31H,6,10,12-16,20-21H2,1H3/p+1