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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=[NH+]C=CN1)C2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

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

InChI

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