(3-phenyl-2,1-benzoxazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (3-phenyl-2,1-benzoxazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: (3-phenyl-2,1-benzoxazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (3-phenyl-2,1-benzoxazol-5-yl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (3-phenylanthranil-5-yl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C23H21N4O2+ MolecularWeight: 385.43844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C23H20N4O2/c28-23(27-14-12-26(13-15-27)21-8-4-5-11-24-21)18-9-10-20-19(16-18)22(29-25-20)17-6-2-1-3-7-17/h1-11,16H,12-15H2/p+1