(3-phenyl-2,1-benzoxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-phenylanthranil-5-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C24H23N4O2+ MolecularWeight: 399.46502

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C24H22N4O2/c29-24(28-14-12-27(13-15-28)17-18-8-10-25-11-9-18)20-6-7-22-21(16-20)23(30-26-22)19-4-2-1-3-5-19/h1-11,16H,12-15,17H2/p+1