(3S)-N-(4-fluorophenyl)-1-(1-propylpiperidin-1-ium-4-yl)piperidin-1-ium-3-amine

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC3=CC=C(C=C3)F

Isomeric SMILES

CCC[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC3=CC=C(C=C3)F

InChI

InChI=1S/C19H30FN3/c1-2-11-22-13-9-19(10-14-22)23-12-3-4-18(15-23)21-17-7-5-16(20)6-8-17/h5-8,18-19,21H,2-4,9-15H2,1H3/p+2/t18-/m0/s1