[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [3-(3-methoxyphenyl)-1,2-oxazol-5-yl]-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)isoxazol-5-yl]methanone CAS Name: [3-(3-methoxyphenyl)-5-isoxazolyl]-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-[3-(3-methoxyphenyl)isoxazol-5-yl]methanone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3/c1-27-19-9-5-8-18(14-19)20-15-21(28-23-20)22(26)25-12-10-24(11-13-25)16-17-6-3-2-4-7-17/h2-9,14-15H,10-13,16H2,1H3/p+1