N-(3-aminophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanamide

Systemtic Name: N-(3-aminophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanamide Openeye Name: N-(3-aminophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanamide CAS Name: N-(3-aminophenyl)-4-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]butanamide IUPAC Name: N-(3-aminophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butanamide Traditional Name: N-(3-aminophenyl)-4-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]butyramide Formula: C17H28N3O+ MolecularWeight: 290.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCCC(=O)NC2=CC=CC(=C2)N)C

Isomeric SMILES

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

InChI

InChI=1S/C17H27N3O/c1-13-9-14(2)12-20(11-13)8-4-7-17(21)19-16-6-3-5-15(18)10-16/h3,5-6,10,13-14H,4,7-9,11-12,18H2,1-2H3,(H,19,21)/p+1/t13-,14-/m0/s1