2-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]indene-1,3-dione

Systemtic Name: 2-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]indene-1,3-dione Openeye Name: 2-[(3-morpholin-4-ium-4-ylpropylamino)methylene]indane-1,3-dione CAS Name: 2-[[3-(4-morpholin-4-iumyl)propylamino]methylidene]indene-1,3-dione IUPAC Name: 2-[(3-morpholin-4-ium-4-ylpropylamino)methylidene]indene-1,3-dione Traditional Name: 2-[(3-morpholin-4-ium-4-ylpropylamino)methylene]indane-1,3-quinone Formula: C17H21N2O3+ MolecularWeight: 301.36024

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC=C2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1COCC[NH+]1CCCNC=C2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H20N2O3/c20-16-13-4-1-2-5-14(13)17(21)15(16)12-18-6-3-7-19-8-10-22-11-9-19/h1-2,4-5,12,18H,3,6-11H2/p+1