(2S,3S)-3-methyl-2-phenyl-N-[(3R)-piperidin-1-ium-3-yl]pentanamide

Systemtic Name: (2S,3S)-3-methyl-2-phenyl-N-[(3R)-piperidin-1-ium-3-yl]pentanamide Openeye Name: (2S,3S)-3-methyl-2-phenyl-N-[(3R)-piperidin-1-ium-3-yl]pentanamide CAS Name: (2S,3S)-3-methyl-2-phenyl-N-[(3R)-3-piperidin-1-iumyl]pentanamide IUPAC Name: (2S,3S)-3-methyl-2-phenyl-N-[(3R)-piperidin-1-ium-3-yl]pentanamide Traditional Name: (2S,3S)-3-methyl-2-phenyl-N-[(3R)-piperidin-1-ium-3-yl]valeramide Formula: C17H27N2O+ MolecularWeight: 275.40908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O/c1-3-13(2)16(14-8-5-4-6-9-14)17(20)19-15-10-7-11-18-12-15/h4-6,8-9,13,15-16,18H,3,7,10-12H2,1-2H3,(H,19,20)/p+1/t13-,15+,16-/m0/s1