(3S)-N-cyclopropyl-1-[1-[(4-fluoranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide

Systemtic Name: (3S)-N-cyclopropyl-1-[1-[(4-fluoranyl-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Openeye Name: (3S)-N-cyclopropyl-1-[1-[(4-fluoro-2-methoxy-phenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide CAS Name: (3S)-N-cyclopropyl-1-[1-[(4-fluoro-2-methoxyphenyl)methyl]-4-piperidin-1-iumyl]-3-piperidinecarboxamide IUPAC Name: (3S)-N-cyclopropyl-1-[1-[(4-fluoro-2-methoxyphenyl)methyl]piperidin-1-ium-4-yl]piperidine-3-carboxamide Traditional Name: (3S)-N-cyclopropyl-1-[1-(4-fluoro-2-methoxy-benzyl)piperidin-1-ium-4-yl]nipecotamide Formula: C22H33FN3O2+ MolecularWeight: 390.514723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)C[NH+]2CCC(CC2)N3CCCC(C3)C(=O)NC4CC4

Isomeric SMILES

COC1=C(C=CC(=C1)F)C[NH+]2CCC(CC2)N3CCC[C@@H](C3)C(=O)NC4CC4

InChI

InChI=1S/C22H32FN3O2/c1-28-21-13-18(23)5-4-16(21)14-25-11-8-20(9-12-25)26-10-2-3-17(15-26)22(27)24-19-6-7-19/h4-5,13,17,19-20H,2-3,6-12,14-15H2,1H3,(H,24,27)/p+1/t17-/m0/s1