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

Systemtic Name: 4-(5-nitro-3-piperazin-1-yl-isoquinolin-1-yl)-4-oxidanidyl-thiomorpholin-4-ium Openeye Name: 4-(5-nitro-3-piperazin-1-yl-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium CAS Name: 4-[5-nitro-3-(1-piperazinyl)-1-isoquinolinyl]-4-oxidothiomorpholin-4-ium IUPAC Name: 4-(5-nitro-3-piperazin-1-ylisoquinolin-1-yl)-4-oxidothiomorpholin-4-ium Traditional Name: 4-(5-nitro-3-piperazino-1-isoquinolyl)-4-oxido-thiomorpholin-4-ium Formula: C17H21N5O3S MolecularWeight: 375.44534

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C3C=CC=C(C3=C2)[N+](=O)[O-])[N+]4(CCSCC4)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC(=C3C=CC=C(C3=C2)[N+](=O)[O-])[N+]4(CCSCC4)[O-]

InChI

InChI=1S/C17H21N5O3S/c23-21(24)15-3-1-2-13-14(15)12-16(20-6-4-18-5-7-20)19-17(13)22(25)8-10-26-11-9-22/h1-3,12,18H,4-11H2