(2S)-2-phenyl-N-[(3S)-piperidin-1-ium-3-yl]butanamide

Systemtic Name: (2S)-2-phenyl-N-[(3S)-piperidin-1-ium-3-yl]butanamide Openeye Name: (2S)-2-phenyl-N-[(3S)-piperidin-1-ium-3-yl]butanamide CAS Name: (2S)-2-phenyl-N-[(3S)-3-piperidin-1-iumyl]butanamide IUPAC Name: (2S)-2-phenyl-N-[(3S)-piperidin-1-ium-3-yl]butanamide Traditional Name: (2S)-2-phenyl-N-[(3S)-piperidin-1-ium-3-yl]butyramide Formula: C15H23N2O+ MolecularWeight: 247.35592

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NC2CCC[NH2+]C2

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)N[C@H]2CCC[NH2+]C2

InChI

InChI=1S/C15H22N2O/c1-2-14(12-7-4-3-5-8-12)15(18)17-13-9-6-10-16-11-13/h3-5,7-8,13-14,16H,2,6,9-11H2,1H3,(H,17,18)/p+1/t13-,14-/m0/s1