(2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-N-(1,3-benzodioxol-5-yl)-2-(4-benzoylpiperazin-1-ium-1-yl)propionamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O4/c1-15(20(25)22-17-7-8-18-19(13-17)28-14-27-18)23-9-11-24(12-10-23)21(26)16-5-3-2-4-6-16/h2-8,13,15H,9-12,14H2,1H3,(H,22,25)/p+1/t15-/m1/s1