(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide

Systemtic Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide Openeye Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-phenyl-propanamide CAS Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-ethyl-N-phenylpropanamide IUPAC Name: (2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-ethyl-N-phenylpropanamide Traditional Name: (2S)-N-ethyl-N-phenyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N3O3/c1-3-26(20-7-5-4-6-8-20)23(27)18(2)25-13-11-24(12-14-25)16-19-9-10-21-22(15-19)29-17-28-21/h4-10,15,18H,3,11-14,16-17H2,1-2H3/p+2/t18-/m0/s1