4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-thiochromen-2-one

Systemtic Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-thiochromen-2-one Openeye Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-thiochromen-2-one CAS Name: 4-[3-(4-morpholin-4-iumyl)propylamino]-3-nitro-1-benzothiopyran-2-one IUPAC Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitrothiochromen-2-one Traditional Name: 4-(3-morpholin-4-ium-4-ylpropylamino)-3-nitro-thiochromen-2-one Formula: C16H20N3O4S+ MolecularWeight: 350.4127

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCCNC2=C(C(=O)SC3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O4S/c20-16-15(19(21)22)14(12-4-1-2-5-13(12)24-16)17-6-3-7-18-8-10-23-11-9-18/h1-2,4-5,17H,3,6-11H2/p+1