[(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone

Systemtic Name: [(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone Openeye Name: [(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-[2-(phenoxymethyl)oxazol-4-yl]methanone CAS Name: [(3S)-3,4-dimethyl-1-piperazin-4-iumyl]-[2-(phenoxymethyl)-4-oxazolyl]methanone IUPAC Name: [(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-[2-(phenoxymethyl)-1,3-oxazol-4-yl]methanone Traditional Name: [(3S)-3,4-dimethylpiperazin-4-ium-1-yl]-[2-(phenoxymethyl)oxazol-4-yl]methanone Formula: C17H22N3O3+ MolecularWeight: 316.37488

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC[NH+]1C)C(=O)C2=COC(=N2)COC3=CC=CC=C3

Isomeric SMILES

C[C@H]1CN(CC[NH+]1C)C(=O)C2=COC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O3/c1-13-10-20(9-8-19(13)2)17(21)15-11-23-16(18-15)12-22-14-6-4-3-5-7-14/h3-7,11,13H,8-10,12H2,1-2H3/p+1/t13-/m0/s1