N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-piperidin-1-ium-1-yl-acetamide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-13-7-8-16(11-14(13)2)15(3)18-17(20)12-19-9-5-4-6-10-19/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)/p+1/t15-/m0/s1