(4-chloranyl-3-methyl-1,2-oxazol-5-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-chloranyl-3-methyl-1,2-oxazol-5-yl)-[4-(diphenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-chloro-3-methyl-isoxazol-5-yl)methanone CAS Name: (4-chloro-3-methyl-5-isoxazolyl)-[4-(diphenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-chloro-3-methyl-1,2-oxazol-5-yl)methanone Traditional Name: (4-benzhydrylpiperazin-4-ium-1-yl)-(4-chloro-3-methyl-isoxazol-5-yl)methanone Formula: C22H23ClN3O2+ MolecularWeight: 396.88992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1Cl)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NOC(=C1Cl)C(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22ClN3O2/c1-16-19(23)21(28-24-16)22(27)26-14-12-25(13-15-26)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,20H,12-15H2,1H3/p+1