N-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propanamide

Systemtic Name: N-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propanamide Openeye Name: N-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propanamide CAS Name: N-(2,5-dimethylphenyl)-3-(1-piperidin-1-iumyl)propanamide IUPAC Name: N-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-ylpropanamide Traditional Name: N-(2,5-dimethylphenyl)-3-piperidin-1-ium-1-yl-propionamide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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