4-(5-nitro-3-piperazin-1-yl-isoquinolin-1-yl)thiomorpholine hydrochloride

Systemtic Name: 4-(5-nitro-3-piperazin-1-yl-isoquinolin-1-yl)thiomorpholine hydrochloride Openeye Name: 4-(5-nitro-3-piperazin-1-yl-1-isoquinolyl)thiomorpholine hydrochloride CAS Name: 4-[5-nitro-3-(1-piperazinyl)-1-isoquinolinyl]thiomorpholine hydrochloride IUPAC Name: 4-(5-nitro-3-piperazin-1-ylisoquinolin-1-yl)thiomorpholine hydrochloride Traditional Name: 4-(5-nitro-3-piperazino-1-isoquinolyl)thiomorpholine hydrochloride Formula: C17H22ClN5O2S MolecularWeight: 395.90688

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC(=C3C=CC=C(C3=C2)[N+](=O)[O-])N4CCSCC4.Cl

Isomeric SMILES

C1CN(CCN1)C2=NC(=C3C=CC=C(C3=C2)[N+](=O)[O-])N4CCSCC4.Cl

InChI

InChI=1S/C17H21N5O2S.ClH/c23-22(24)15-3-1-2-13-14(15)12-16(20-6-4-18-5-7-20)19-17(13)21-8-10-25-11-9-21;/h1-3,12,18H,4-11H2;1H