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

Systemtic Name: [5-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]-1,2-oxazol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [5-[(4-benzylpiperidin-1-ium-1-yl)methyl]isoxazol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [5-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-isoxazolyl]-(1-pyrrolidinyl)methanone IUPAC Name: [5-[(4-benzylpiperidin-1-ium-1-yl)methyl]-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [5-[(4-benzylpiperidin-1-ium-1-yl)methyl]isoxazol-3-yl]-pyrrolidino-methanone Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=NOC(=C2)C[NH+]3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H27N3O2/c25-21(24-10-4-5-11-24)20-15-19(26-22-20)16-23-12-8-18(9-13-23)14-17-6-2-1-3-7-17/h1-3,6-7,15,18H,4-5,8-14,16H2/p+1