1-[4-[5-methyl-1-(4-oxidanidylthiomorpholin-4-ium-4-yl)isoquinolin-3-yl]piperazin-1-yl]ethanone

Systemtic Name: 1-[4-[5-methyl-1-(4-oxidanidylthiomorpholin-4-ium-4-yl)isoquinolin-3-yl]piperazin-1-yl]ethanone Openeye Name: 1-[4-[5-methyl-1-(4-oxidothiomorpholin-4-ium-4-yl)-3-isoquinolyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[5-methyl-1-(4-oxido-4-thiomorpholin-4-iumyl)-3-isoquinolinyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[5-methyl-1-(4-oxidothiomorpholin-4-ium-4-yl)isoquinolin-3-yl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[5-methyl-1-(4-oxidothiomorpholin-4-ium-4-yl)-3-isoquinolyl]piperazino]ethanone Formula: C20H26N4O2S MolecularWeight: 386.51104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(N=C(C=C12)N3CCN(CC3)C(=O)C)[N+]4(CCSCC4)[O-]

Isomeric SMILES

CC1=CC=CC2=C(N=C(C=C12)N3CCN(CC3)C(=O)C)[N+]4(CCSCC4)[O-]

InChI

InChI=1S/C20H26N4O2S/c1-15-4-3-5-17-18(15)14-19(23-8-6-22(7-9-23)16(2)25)21-20(17)24(26)10-12-27-13-11-24/h3-5,14H,6-13H2,1-2H3