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

Systemtic Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Openeye Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine CAS Name: (3S)-N-(1-ethyl-4-piperidin-1-iumyl)-1-[(2-fluorophenyl)methyl]-3-piperidin-1-iumamine IUPAC Name: (3S)-N-(1-ethylpiperidin-1-ium-4-yl)-1-[(2-fluorophenyl)methyl]piperidin-1-ium-3-amine Traditional Name: (1-ethylpiperidin-1-ium-4-yl)-[(3S)-1-(2-fluorobenzyl)piperidin-1-ium-3-yl]amine Formula: C19H32FN3+2 MolecularWeight: 321.475883

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC2CCC[NH+](C2)CC3=CC=CC=C3F

Isomeric SMILES

CC[NH+]1CCC(CC1)N[C@H]2CCC[NH+](C2)CC3=CC=CC=C3F

InChI

InChI=1S/C19H30FN3/c1-2-22-12-9-17(10-13-22)21-18-7-5-11-23(15-18)14-16-6-3-4-8-19(16)20/h3-4,6,8,17-18,21H,2,5,7,9-15H2,1H3/p+2/t18-/m0/s1