4-(5-methyl-3-piperazin-1-yl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium

Systemtic Name: 4-(5-methyl-3-piperazin-1-yl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(5-methyl-3-piperazin-1-yl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-[5-methyl-3-(1-piperazinyl)-1-isoquinolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(5-methyl-3-piperazin-1-ylisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(5-methyl-3-piperazino-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C(N=C(C=C12)N3CCNCC3)[N+]4(CCSCC4)[O-]

Isomeric SMILES

CC1=CC=CC2=C(N=C(C=C12)N3CCNCC3)[N+]4(CCSCC4)[O-]

InChI

InChI=1S/C18H24N4OS/c1-14-3-2-4-15-16(14)13-17(21-7-5-19-6-8-21)20-18(15)22(23)9-11-24-12-10-22/h2-4,13,19H,5-12H2,1H3