N-(4-aminophenyl)-4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]butanamide

Systemtic Name: N-(4-aminophenyl)-4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(4-aminophenyl)-4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(4-aminophenyl)-4-[(2S,6S)-2,6-dimethyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(4-aminophenyl)-4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(4-aminophenyl)-4-[(2S,6S)-2,6-dimethylpiperidin-1-ium-1-yl]butyramide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CCCC(=O)NC2=CC=C(C=C2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-13-5-3-6-14(2)20(13)12-4-7-17(21)19-16-10-8-15(18)9-11-16/h8-11,13-14H,3-7,12,18H2,1-2H3,(H,19,21)/p+1/t13-,14-/m0/s1