6-nitro-3-[4-oxidanylidene-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one

Systemtic Name: 6-nitro-3-[4-oxidanylidene-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Openeye Name: 6-nitro-3-[4-oxo-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one CAS Name: 6-nitro-3-[4-oxo-4-[4-(4-pyridin-1-iumyl)-1-piperazinyl]butyl]-1,3-benzoxazol-2-one IUPAC Name: 6-nitro-3-[4-oxo-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-(4-pyridin-1-ium-4-ylpiperazino)butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C20H22N5O5+ MolecularWeight: 412.41918

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C20H21N5O5/c26-19(23-12-10-22(11-13-23)15-5-7-21-8-6-15)2-1-9-24-17-4-3-16(25(28)29)14-18(17)30-20(24)27/h3-8,14H,1-2,9-13H2/p+1