N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Formula: C23H30N3O3+ MolecularWeight: 396.5026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C23H29N3O3/c1-2-25(17-19-8-9-21-22(16-19)29-15-14-28-21)23(27)18-24-10-12-26(13-11-24)20-6-4-3-5-7-20/h3-9,16H,2,10-15,17-18H2,1H3/p+1