(2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-N-cyclopropyl-2-phenyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H29N3O3+2 MolecularWeight: 395.49466

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O3/c27-23(24-19-7-8-19)22(18-4-2-1-3-5-18)26-12-10-25(11-13-26)15-17-6-9-20-21(14-17)29-16-28-20/h1-6,9,14,19,22H,7-8,10-13,15-16H2,(H,24,27)/p+2/t22-/m1/s1