N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxidanylidene-1-phenethyl-piperazin-1-ium-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxo-1-phenethyl-piperazin-1-ium-2-yl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxo-1-phenethyl-2-piperazin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[(2R)-3-oxo-1-phenethylpiperazin-1-ium-2-yl]acetamide Traditional Name: 2-[(2R)-3-keto-1-phenethyl-piperazin-1-ium-2-yl]-N-piperonyl-acetamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](C(C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CCC4=CC=CC=C4

Isomeric SMILES

C1C[NH+]([C@@H](C(=O)N1)CC(=O)NCC2=CC3=C(C=C2)OCO3)CCC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O4/c26-21(24-14-17-6-7-19-20(12-17)29-15-28-19)13-18-22(27)23-9-11-25(18)10-8-16-4-2-1-3-5-16/h1-7,12,18H,8-11,13-15H2,(H,23,27)(H,24,26)/p+1/t18-/m1/s1