(3S)-N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-(2-benzamidoethyl)-1-[(3-fluorophenyl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-(2-benzamidoethyl)-1-(3-fluorobenzyl)piperidin-1-ium-3-carboxamide Formula: C22H27FN3O2+ MolecularWeight: 384.467083

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC(=CC=C2)F)C(=O)NCCNC(=O)C3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=CC(=CC=C2)F)C(=O)NCCNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H26FN3O2/c23-20-10-4-6-17(14-20)15-26-13-5-9-19(16-26)22(28)25-12-11-24-21(27)18-7-2-1-3-8-18/h1-4,6-8,10,14,19H,5,9,11-13,15-16H2,(H,24,27)(H,25,28)/p+1/t19-/m0/s1