(2R)-2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide

Systemtic Name: (2R)-2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide Openeye Name: (2R)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide CAS Name: (2R)-2-[4-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)propanamide IUPAC Name: (2R)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)propanamide Traditional Name: (2R)-2-[4-[(3S)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)propionamide Formula: C22H25FN3O4+ MolecularWeight: 414.450003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)F)[NH+]2CCN(CC2)C(=O)[C@@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H24FN3O4/c1-15(21(27)24-17-8-6-16(23)7-9-17)25-10-12-26(13-11-25)22(28)20-14-29-18-4-2-3-5-19(18)30-20/h2-9,15,20H,10-14H2,1H3,(H,24,27)/p+1/t15-,20+/m1/s1