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

Systemtic Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide CAS Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzoyl-1-piperazin-1-iumyl)propanamide IUPAC Name: (2R)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-benzoylpiperazin-1-ium-1-yl)propanamide Traditional Name: (2R)-2-(4-benzoylpiperazin-1-ium-1-yl)-N-piperonyl-propionamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c1-16(21(26)23-14-17-7-8-19-20(13-17)29-15-28-19)24-9-11-25(12-10-24)22(27)18-5-3-2-4-6-18/h2-8,13,16H,9-12,14-15H2,1H3,(H,23,26)/p+1/t16-/m1/s1