N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide

Systemtic Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(3-cyanophenyl)-4-[(3S)-3-methyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(3-cyanophenyl)-4-[(3S)-3-methylpiperidin-1-ium-1-yl]butyramide Formula: C17H24N3O+ MolecularWeight: 286.39196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O/c1-14-5-3-9-20(13-14)10-4-8-17(21)19-16-7-2-6-15(11-16)12-18/h2,6-7,11,14H,3-5,8-10,13H2,1H3,(H,19,21)/p+1/t14-/m0/s1