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

Systemtic Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenethyl-propanamide Openeye Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenethyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-phenethylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-phenethylpropanamide Traditional Name: (2R)-N-phenethyl-2-(4-piperonylpiperazine-1,4-diium-1-yl)propionamide Formula: C23H31N3O3+2 MolecularWeight: 397.51054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@H](C(=O)NCCC1=CC=CC=C1)[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O3/c1-18(23(27)24-10-9-19-5-3-2-4-6-19)26-13-11-25(12-14-26)16-20-7-8-21-22(15-20)29-17-28-21/h2-8,15,18H,9-14,16-17H2,1H3,(H,24,27)/p+2/t18-/m1/s1