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

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(phenylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethylisoxazol-4-yl)methanone CAS Name: (3,5-dimethyl-4-isoxazolyl)-[4-(phenylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone Traditional Name: (4-benzylpiperazin-4-ium-1-yl)-(3,5-dimethylisoxazol-4-yl)methanone Formula: C17H22N3O2+ MolecularWeight: 300.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2/c1-13-16(14(2)22-18-13)17(21)20-10-8-19(9-11-20)12-15-6-4-3-5-7-15/h3-7H,8-12H2,1-2H3/p+1