[4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone

Systemtic Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone Openeye Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2-isopropyl-1,3-benzoxazol-5-yl)methanone CAS Name: [4-(2,6-dimethyl-4-pyridin-1-iumyl)-1-piperazinyl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone IUPAC Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone Traditional Name: [4-(2,6-dimethylpyridin-1-ium-4-yl)piperazino]-(2-isopropyl-1,3-benzoxazol-5-yl)methanone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)C(C)C

Isomeric SMILES

CC1=CC(=CC(=[NH+]1)C)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)C(C)C

InChI

InChI=1S/C22H26N4O2/c1-14(2)21-24-19-13-17(5-6-20(19)28-21)22(27)26-9-7-25(8-10-26)18-11-15(3)23-16(4)12-18/h5-6,11-14H,7-10H2,1-4H3/p+1