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

Systemtic Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (3-phenyl-2,1-benzoxazol-5-yl)-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (3-phenylanthranil-5-yl)-[4-(3-thenyl)piperazin-4-ium-1-yl]methanone Formula: C23H22N3O2S+ MolecularWeight: 404.50468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O2S/c27-23(26-11-9-25(10-12-26)15-17-8-13-29-16-17)19-6-7-21-20(14-19)22(28-24-21)18-4-2-1-3-5-18/h1-8,13-14,16H,9-12,15H2/p+1