2-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[4-[(3-phenyl-2,1-benzoxazol-5-yl)carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[oxo-(3-phenyl-2,1-benzoxazol-5-yl)methyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-(3-phenyl-2,1-benzoxazole-5-carbonyl)piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-(3-phenylanthranil-5-carbonyl)piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(ON=C4C=C3)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O3/c30-23(28-11-5-2-6-12-28)18-27-13-15-29(16-14-27)25(31)20-9-10-22-21(17-20)24(32-26-22)19-7-3-1-4-8-19/h1,3-4,7-10,17H,2,5-6,11-16,18H2/p+1