N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2S)-2-(4-ethyl-1-piperazin-4-iumyl)-2-(3-pyridinyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-pyridin-3-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-(3-pyridyl)ethyl]-piperonylamide Formula: C21H27N4O3+ MolecularWeight: 383.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)[C@H](CNC(=O)C2=CC3=C(C=C2)OCO3)C4=CN=CC=C4

InChI

InChI=1S/C21H26N4O3/c1-2-24-8-10-25(11-9-24)18(17-4-3-7-22-13-17)14-23-21(26)16-5-6-19-20(12-16)28-15-27-19/h3-7,12-13,18H,2,8-11,14-15H2,1H3,(H,23,26)/p+1/t18-/m1/s1