(1S)-1-(1-methylimidazol-2-yl)-2-[(6-methyl-2-piperidin-1-yl-pyrimidin-3-ium-4-yl)amino]ethanol

Systemtic Name: (1S)-1-(1-methylimidazol-2-yl)-2-[(6-methyl-2-piperidin-1-yl-pyrimidin-3-ium-4-yl)amino]ethanol Openeye Name: (1S)-1-(1-methylimidazol-2-yl)-2-[[6-methyl-2-(1-piperidyl)pyrimidin-3-ium-4-yl]amino]ethanol CAS Name: (1S)-1-(1-methyl-2-imidazolyl)-2-[[6-methyl-2-(1-piperidinyl)-4-pyrimidin-3-iumyl]amino]ethanol IUPAC Name: (1S)-1-(1-methylimidazol-2-yl)-2-[(6-methyl-2-piperidin-1-ylpyrimidin-3-ium-4-yl)amino]ethanol Traditional Name: (1S)-1-(1-methylimidazol-2-yl)-2-[(6-methyl-2-piperidino-pyrimidin-3-ium-4-yl)amino]ethanol Formula: C16H25N6O+ MolecularWeight: 317.4093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)N2CCCCC2)NCC(C3=NC=CN3C)O

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)N2CCCCC2)NC[C@@H](C3=NC=CN3C)O

InChI

InChI=1S/C16H24N6O/c1-12-10-14(18-11-13(23)15-17-6-9-21(15)2)20-16(19-12)22-7-4-3-5-8-22/h6,9-10,13,23H,3-5,7-8,11H2,1-2H3,(H,18,19,20)/p+1/t13-/m0/s1