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

Systemtic Name: [1-[(2-azanylpyrimidin-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Openeye Name: [1-[(2-aminopyrimidin-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol CAS Name: [1-[(2-amino-5-pyrimidinyl)methyl]-4-(3-phenylpropyl)-4-piperidin-1-iumyl]methanol IUPAC Name: [1-[(2-aminopyrimidin-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Traditional Name: [1-[(2-aminopyrimidin-5-yl)methyl]-4-(3-phenylpropyl)piperidin-1-ium-4-yl]methanol Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CN=C(N=C3)N

Isomeric SMILES

C1C[NH+](CCC1(CCCC2=CC=CC=C2)CO)CC3=CN=C(N=C3)N

InChI

InChI=1S/C20H28N4O/c21-19-22-13-18(14-23-19)15-24-11-9-20(16-25,10-12-24)8-4-7-17-5-2-1-3-6-17/h1-3,5-6,13-14,25H,4,7-12,15-16H2,(H2,21,22,23)/p+1