N,N-diethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N,N-diethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Openeye Name: N,N-diethyl-1-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide CAS Name: N,N-diethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-4-oxazolyl]methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N,N-diethyl-1-[[5-methyl-2-(3-phenoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Traditional Name: N,N-diethyl-1-[[5-methyl-2-(3-phenoxyphenyl)oxazol-4-yl]methyl]piperidin-1-ium-4-carboxamide Formula: C27H34N3O3+ MolecularWeight: 448.57716

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCN(CC)C(=O)C1CC[NH+](CC1)CC2=C(OC(=N2)C3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C27H33N3O3/c1-4-30(5-2)27(31)21-14-16-29(17-15-21)19-25-20(3)32-26(28-25)22-10-9-13-24(18-22)33-23-11-7-6-8-12-23/h6-13,18,21H,4-5,14-17,19H2,1-3H3/p+1