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

Systemtic Name: 2-[4-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[4-[5-(4-chlorophenyl)isoxazole-3-carbonyl]piperazin-1-ium-1-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[4-[[5-(4-chlorophenyl)-3-isoxazolyl]-oxomethyl]-1-piperazin-1-iumyl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[4-[5-(4-chlorophenyl)-1,2-oxazole-3-carbonyl]piperazin-1-ium-1-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[4-[5-(4-chlorophenyl)isoxazole-3-carbonyl]piperazin-1-ium-1-yl]-1-piperidino-ethanone Formula: C21H26ClN4O3+ MolecularWeight: 417.90914

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCN(CC1)C(=O)C[NH+]2CCN(CC2)C(=O)C3=NOC(=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H25ClN4O3/c22-17-6-4-16(5-7-17)19-14-18(23-29-19)21(28)26-12-10-24(11-13-26)15-20(27)25-8-2-1-3-9-25/h4-7,14H,1-3,8-13,15H2/p+1