3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propanamide Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]propionamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NC2CCC[NH+](C2)CCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)N[C@H]2CCC[NH+](C2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H29N3O2/c1-16-20(17(2)26-23-16)10-11-21(25)22-19-9-6-13-24(15-19)14-12-18-7-4-3-5-8-18/h3-5,7-8,19H,6,9-15H2,1-2H3,(H,22,25)/p+1/t19-/m0/s1