3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione

Systemtic Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione Openeye Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylene]chromane-2,4-dione CAS Name: 3-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]methylidene]-3,4-dihydro-2H-1-benzopyran-2,4-dione IUPAC Name: 3-[(4-pyridin-1-ium-2-ylpiperazin-1-yl)methylidene]chromene-2,4-dione Traditional Name: 3-[(4-pyridin-1-ium-2-ylpiperazino)methylene]chroman-2,4-quinone Formula: C19H18N3O3+ MolecularWeight: 336.36452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C=C2C(=O)C3=CC=CC=C3OC2=O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1C=C2C(=O)C3=CC=CC=C3OC2=O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C19H17N3O3/c23-18-14-5-1-2-6-16(14)25-19(24)15(18)13-21-9-11-22(12-10-21)17-7-3-4-8-20-17/h1-8,13H,9-12H2/p+1