N-(4-azanyl-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-azanyl-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)ethanamide Openeye Name: N-(4-amino-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)acetamide CAS Name: N-(4-amino-2-methylphenyl)-2-(1-azocan-1-iumyl)acetamide IUPAC Name: N-(4-amino-2-methylphenyl)-2-(azocan-1-ium-1-yl)acetamide Traditional Name: N-(4-amino-2-methyl-phenyl)-2-(azocan-1-ium-1-yl)acetamide Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N)NC(=O)C[NH+]2CCCCCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)N)NC(=O)C[NH+]2CCCCCCC2

InChI

InChI=1S/C16H25N3O/c1-13-11-14(17)7-8-15(13)18-16(20)12-19-9-5-3-2-4-6-10-19/h7-8,11H,2-6,9-10,12,17H2,1H3,(H,18,20)/p+1