(3S)-1-[(2-fluorophenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine

Systemtic Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-1-[(2-fluorophenyl)methyl]-N-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]piperidin-1-ium-3-amine Traditional Name: [(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]-[(5-methyl-1H-imidazol-3-ium-4-yl)methyl]amine Formula: C17H25FN4+2 MolecularWeight: 304.405603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([NH+]=CN1)CNC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC1=C([NH+]=CN1)CN[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C17H23FN4/c1-13-17(21-12-20-13)9-19-15-6-4-8-22(11-15)10-14-5-2-3-7-16(14)18/h2-3,5,7,12,15,19H,4,6,8-11H2,1H3,(H,20,21)/p+2/t15-/m0/s1