(3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(3-isoxazolylmethyl)-N-[2-(4-methoxyphenyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[2-(4-methoxyphenyl)phenyl]-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(isoxazol-3-ylmethyl)-N-[2-(4-methoxyphenyl)phenyl]piperidin-1-ium-3-carboxamide Formula: C23H26N3O3+ MolecularWeight: 392.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)C3CCC[NH+](C3)CC4=NOC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=CC=C2NC(=O)[C@H]3CCC[NH+](C3)CC4=NOC=C4

InChI

InChI=1S/C23H25N3O3/c1-28-20-10-8-17(9-11-20)21-6-2-3-7-22(21)24-23(27)18-5-4-13-26(15-18)16-19-12-14-29-25-19/h2-3,6-12,14,18H,4-5,13,15-16H2,1H3,(H,24,27)/p+1/t18-/m0/s1