(3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methyl-5-pyrimidinyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-methyl-N-[(2-methylpyrimidin-5-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-methyl-[(2-methylpyrimidin-5-yl)methyl]amine Formula: C19H26FN4+ MolecularWeight: 329.434943

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=N1)CN(C)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=NC=C(C=N1)CN(C)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H25FN4/c1-15-21-10-16(11-22-15)12-23(2)18-7-5-9-24(14-18)13-17-6-3-4-8-19(17)20/h3-4,6,8,10-11,18H,5,7,9,12-14H2,1-2H3/p+1/t18-/m0/s1