(3R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-3-phenyl-pentanoate

Systemtic Name: (3R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxidanylidene-3-phenyl-pentanoate Openeye Name: (3R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxo-3-phenyl-pentanoate CAS Name: (3R)-5-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-oxo-3-phenylpentanoate IUPAC Name: (3R)-5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-oxo-3-phenylpentanoate Traditional Name: (3R)-5-keto-3-phenyl-5-(4-piperonylpiperazin-4-ium-1-yl)valerate Formula: C23H26N2O5 MolecularWeight: 410.46294

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)CC(CC(=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C[C@H](CC(=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C23H26N2O5/c26-22(13-19(14-23(27)28)18-4-2-1-3-5-18)25-10-8-24(9-11-25)15-17-6-7-20-21(12-17)30-16-29-20/h1-7,12,19H,8-11,13-16H2,(H,27,28)/t19-/m1/s1