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

Systemtic Name: [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-[(2-methoxyphenoxy)methyl]isoxazol-3-yl]-(4-pyrrolidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-[(2-methoxyphenoxy)methyl]-3-isoxazolyl]-[4-(1-pyrrolidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-[(2-methoxyphenoxy)methyl]isoxazol-3-yl]-(4-pyrrolidin-1-ium-1-ylpiperidino)methanone Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1OCC2=CC(=NO2)C(=O)N3CCC(CC3)[NH+]4CCCC4

InChI

InChI=1S/C21H27N3O4/c1-26-19-6-2-3-7-20(19)27-15-17-14-18(22-28-17)21(25)24-12-8-16(9-13-24)23-10-4-5-11-23/h2-3,6-7,14,16H,4-5,8-13,15H2,1H3/p+1