N-(2,6-dimethylphenyl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(2,6-dimethylphenyl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(2,6-dimethylphenyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(2,6-dimethylphenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(2,6-dimethylphenyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(2,6-dimethylphenyl)-3-piperidin-1-ium-1-yl-propionamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CC[NH+]2CCCCC2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CC[NH+]2CCCCC2

InChI

InChI=1S/C16H24N2O/c1-13-7-6-8-14(2)16(13)17-15(19)9-12-18-10-4-3-5-11-18/h6-8H,3-5,9-12H2,1-2H3,(H,17,19)/p+1