N-(3-fluoranyl-4-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide

Systemtic Name: N-(3-fluoranyl-4-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)ethanamide Openeye Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide CAS Name: N-(3-fluoro-4-methylphenyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(3-fluoro-4-methylphenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Traditional Name: N-(3-fluoro-4-methyl-phenyl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)acetamide Formula: C19H30FN3O+2 MolecularWeight: 335.459403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C[NH+]2CCC(CC2)[NH+]3CCCCC3)F

InChI

InChI=1S/C19H28FN3O/c1-15-5-6-16(13-18(15)20)21-19(24)14-22-11-7-17(8-12-22)23-9-3-2-4-10-23/h5-6,13,17H,2-4,7-12,14H2,1H3,(H,21,24)/p+2