N-(5-azanyl-2-methyl-phenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-3-(4-oxidanylpiperidin-1-ium-1-yl)propanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-3-(4-hydroxypiperidin-1-ium-1-yl)propanamide CAS Name: N-(5-amino-2-methylphenyl)-3-(4-hydroxy-1-piperidin-1-iumyl)propanamide IUPAC Name: N-(5-amino-2-methylphenyl)-3-(4-hydroxypiperidin-1-ium-1-yl)propanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-3-(4-hydroxypiperidin-1-ium-1-yl)propionamide Formula: C15H24N3O2+ MolecularWeight: 278.36996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N)NC(=O)CC[NH+]2CCC(CC2)O

Isomeric SMILES

CC1=C(C=C(C=C1)N)NC(=O)CC[NH+]2CCC(CC2)O

InChI

InChI=1S/C15H23N3O2/c1-11-2-3-12(16)10-14(11)17-15(20)6-9-18-7-4-13(19)5-8-18/h2-3,10,13,19H,4-9,16H2,1H3,(H,17,20)/p+1