N-(3-cyanophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: N-(3-cyanophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: N-(3-cyanophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: N-(3-cyanophenyl)-3-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: N-(3-cyanophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: N-(3-cyanophenyl)-3-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C16H22N3O+ MolecularWeight: 272.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CCC(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H21N3O/c1-13-4-3-8-19(12-13)9-7-16(20)18-15-6-2-5-14(10-15)11-17/h2,5-6,10,13H,3-4,7-9,12H2,1H3,(H,18,20)/p+1/t13-/m0/s1