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

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-cyclopropylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-cyclopropylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)propionamide Formula: C18H27N3O3+2 MolecularWeight: 333.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NC1CC1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H25N3O3/c1-13(18(22)19-15-3-4-15)21-8-6-20(7-9-21)11-14-2-5-16-17(10-14)24-12-23-16/h2,5,10,13,15H,3-4,6-9,11-12H2,1H3,(H,19,22)/p+2/t13-/m1/s1