3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]propionamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H27N3O3/c1-2-24-11-13-25(14-12-24)19-7-5-18(6-8-19)23-22(26)10-4-17-3-9-20-21(15-17)28-16-27-20/h3,5-9,15H,2,4,10-14,16H2,1H3,(H,23,26)/p+1