3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Openeye Name: 3-(3,5-dimethylisoxazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)-N-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]propanamide IUPAC Name: 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)-N-[4-(piperidin-1-ium-1-ylmethyl)benzyl]propionamide Formula: C21H30N3O2+ MolecularWeight: 356.4818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)NCC2=CC=C(C=C2)C[NH+]3CCCCC3

InChI

InChI=1S/C21H29N3O2/c1-16-20(17(2)26-23-16)10-11-21(25)22-14-18-6-8-19(9-7-18)15-24-12-4-3-5-13-24/h6-9H,3-5,10-15H2,1-2H3,(H,22,25)/p+1