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

Systemtic Name: (2S)-2-phenyl-N-[[(2R)-piperidin-1-ium-2-yl]methyl]butanamide Openeye Name: (2S)-2-phenyl-N-[[(2R)-piperidin-1-ium-2-yl]methyl]butanamide CAS Name: (2S)-2-phenyl-N-[[(2R)-2-piperidin-1-iumyl]methyl]butanamide IUPAC Name: (2S)-2-phenyl-N-[[(2R)-piperidin-1-ium-2-yl]methyl]butanamide Traditional Name: (2S)-2-phenyl-N-[[(2R)-piperidin-1-ium-2-yl]methyl]butyramide Formula: C16H25N2O+ MolecularWeight: 261.3825

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)NCC2CCCC[NH2+]2

Isomeric SMILES

CC[C@@H](C1=CC=CC=C1)C(=O)NC[C@H]2CCCC[NH2+]2

InChI

InChI=1S/C16H24N2O/c1-2-15(13-8-4-3-5-9-13)16(19)18-12-14-10-6-7-11-17-14/h3-5,8-9,14-15,17H,2,6-7,10-12H2,1H3,(H,18,19)/p+1/t14-,15+/m1/s1