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

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-prop-2-enyl-propanamide Openeye Name: (2R)-N-allyl-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-prop-2-enylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-prop-2-enylpropanamide Traditional Name: (2R)-N-allyl-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)NCC=C)[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C[C@H](C(=O)NCC=C)[NH+]1CC[NH+](CC1)CC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H25N3O3/c1-3-6-19-18(22)14(2)21-9-7-20(8-10-21)12-15-4-5-16-17(11-15)24-13-23-16/h3-5,11,14H,1,6-10,12-13H2,2H3,(H,19,22)/p+2/t14-/m1/s1