4-[5-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-[5-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-[5-methyl-3-(4-methylpiperazin-1-yl)-1-isoquinolyl]-4-oxido-thiomorpholin-4-ium CAS Name: 4-[5-methyl-3-(4-methyl-1-piperazinyl)-1-isoquinolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-[5-methyl-3-(4-methylpiperazin-1-yl)isoquinolin-1-yl]-4-oxidothiomorpholin-4-ium Traditional Name: 4-[5-methyl-3-(4-methylpiperazino)-1-isoquinolyl]-4-oxido-thiomorpholin-4-ium Formula: C19H26N4OS MolecularWeight: 358.50094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4OS/c1-15-4-3-5-16-17(15)14-18(22-8-6-21(2)7-9-22)20-19(16)23(24)10-12-25-13-11-23/h3-5,14H,6-13H2,1-2H3