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

Systemtic Name: [5-[(2-chloranyl-4-methoxy-phenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-[(2-chloro-4-methoxy-phenoxy)methyl]isoxazol-3-yl]-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-[(2-chloro-4-methoxyphenoxy)methyl]-3-isoxazolyl]-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-[(2-chloro-4-methoxy-phenoxy)methyl]isoxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidino)methanone Formula: C21H27ClN3O4+ MolecularWeight: 420.90978

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCCC4)Cl

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCCC4)Cl

InChI

InChI=1S/C21H26ClN3O4/c1-27-16-4-5-20(18(22)12-16)28-14-17-13-19(23-29-17)21(26)25-10-6-15(7-11-25)24-8-2-3-9-24/h4-5,12-13,15H,2-3,6-11,14H2,1H3/p+1