N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide

Systemtic Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide Openeye Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,5-dimethyl-3-phenyl-isoxazole-4-carboxamide CAS Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)-3-piperidin-1-iumyl]-N,5-dimethyl-3-phenyl-4-isoxazolecarboxamide IUPAC Name: N-[(3S)-1-(2,3-dihydro-1H-inden-2-yl)piperidin-1-ium-3-yl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide Traditional Name: N-[(3S)-1-indan-2-ylpiperidin-1-ium-3-yl]-N,5-dimethyl-3-phenyl-isoxazole-4-carboxamide Formula: C26H30N3O2+ MolecularWeight: 416.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(C)C3CCC[NH+](C3)C4CC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)N(C)[C@H]3CCC[NH+](C3)C4CC5=CC=CC=C5C4

InChI

InChI=1S/C26H29N3O2/c1-18-24(25(27-31-18)19-9-4-3-5-10-19)26(30)28(2)22-13-8-14-29(17-22)23-15-20-11-6-7-12-21(20)16-23/h3-7,9-12,22-23H,8,13-17H2,1-2H3/p+1/t22-/m0/s1