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

Systemtic Name: N-(5-azanyl-2-methyl-phenyl)-4-(4-oxidanylpiperidin-1-ium-1-yl)butanamide Openeye Name: N-(5-amino-2-methyl-phenyl)-4-(4-hydroxypiperidin-1-ium-1-yl)butanamide CAS Name: N-(5-amino-2-methylphenyl)-4-(4-hydroxy-1-piperidin-1-iumyl)butanamide IUPAC Name: N-(5-amino-2-methylphenyl)-4-(4-hydroxypiperidin-1-ium-1-yl)butanamide Traditional Name: N-(5-amino-2-methyl-phenyl)-4-(4-hydroxypiperidin-1-ium-1-yl)butyramide Formula: C16H26N3O2+ MolecularWeight: 292.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2/c1-12-4-5-13(17)11-15(12)18-16(21)3-2-8-19-9-6-14(20)7-10-19/h4-5,11,14,20H,2-3,6-10,17H2,1H3,(H,18,21)/p+1