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

Systemtic Name: (2S,3S)-3-methyl-2-phenyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]pentanamide Openeye Name: (2S,3S)-3-methyl-2-phenyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]pentanamide CAS Name: (2S,3S)-3-methyl-2-phenyl-N-[[(3S)-3-piperidin-1-iumyl]methyl]pentanamide IUPAC Name: (2S,3S)-3-methyl-2-phenyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]pentanamide Traditional Name: (2S,3S)-3-methyl-2-phenyl-N-[[(3S)-piperidin-1-ium-3-yl]methyl]valeramide Formula: C18H29N2O+ MolecularWeight: 289.43566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CC=CC=C1)C(=O)NCC2CCC[NH2+]C2

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O/c1-3-14(2)17(16-9-5-4-6-10-16)18(21)20-13-15-8-7-11-19-12-15/h4-6,9-10,14-15,17,19H,3,7-8,11-13H2,1-2H3,(H,20,21)/p+1/t14-,15+,17-/m0/s1