[5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [5-[(2-methoxy-4-methyl-phenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-[(2-methoxy-4-methyl-phenoxy)methyl]isoxazol-3-yl]-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-[(2-methoxy-4-methylphenoxy)methyl]-3-isoxazolyl]-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-[(2-methoxy-4-methylphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-[(2-methoxy-4-methyl-phenoxy)methyl]isoxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidino)methanone Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCCC4)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCCC4)OC

InChI

InChI=1S/C22H29N3O4/c1-16-5-6-20(21(13-16)27-2)28-15-18-14-19(23-29-18)22(26)25-11-7-17(8-12-25)24-9-3-4-10-24/h5-6,13-14,17H,3-4,7-12,15H2,1-2H3/p+1