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

Systemtic Name: [4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone Openeye Name: (2-isopropyl-1,3-benzoxazol-5-yl)-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: [4-[(3-methyl-2-pyridinyl)methyl]-1-piperazin-4-iumyl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone IUPAC Name: [4-[(3-methylpyridin-2-yl)methyl]piperazin-4-ium-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone Traditional Name: (2-isopropyl-1,3-benzoxazol-5-yl)-[4-[(3-methyl-2-pyridyl)methyl]piperazin-4-ium-1-yl]methanone Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)C(C)C

Isomeric SMILES

CC1=C(N=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OC(=N4)C(C)C

InChI

InChI=1S/C22H26N4O2/c1-15(2)21-24-18-13-17(6-7-20(18)28-21)22(27)26-11-9-25(10-12-26)14-19-16(3)5-4-8-23-19/h4-8,13,15H,9-12,14H2,1-3H3/p+1