[(2S)-2-(2-morpholin-4-ium-4-ylethyl)piperidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone

Systemtic Name: [(2S)-2-(2-morpholin-4-ium-4-ylethyl)piperidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone Openeye Name: (2-isopropyl-1,3-benzoxazol-5-yl)-[(2S)-2-(2-morpholin-4-ium-4-ylethyl)-1-piperidyl]methanone CAS Name: [(2S)-2-[2-(4-morpholin-4-iumyl)ethyl]-1-piperidinyl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone IUPAC Name: [(2S)-2-(2-morpholin-4-ium-4-ylethyl)piperidin-1-yl]-(2-propan-2-yl-1,3-benzoxazol-5-yl)methanone Traditional Name: (2-isopropyl-1,3-benzoxazol-5-yl)-[(2S)-2-(2-morpholin-4-ium-4-ylethyl)piperidino]methanone Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)N3CCCCC3CC[NH+]4CCOCC4

Isomeric SMILES

CC(C)C1=NC2=C(O1)C=CC(=C2)C(=O)N3CCCC[C@H]3CC[NH+]4CCOCC4

InChI

InChI=1S/C22H31N3O3/c1-16(2)21-23-19-15-17(6-7-20(19)28-21)22(26)25-9-4-3-5-18(25)8-10-24-11-13-27-14-12-24/h6-7,15-16,18H,3-5,8-14H2,1-2H3/p+1/t18-/m0/s1