(3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(4-fluorobenzyl)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-carboxamide Formula: C19H30FN3O+2 MolecularWeight: 335.459403

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCC3=CC=C(C=C3)F

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCC3=CC=C(C=C3)F

InChI

InChI=1S/C19H28FN3O/c1-22-11-8-18(9-12-22)23-10-2-3-16(14-23)19(24)21-13-15-4-6-17(20)7-5-15/h4-7,16,18H,2-3,8-14H2,1H3,(H,21,24)/p+2/t16-/m0/s1