N-[(2S)-2-oxidanylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide

Systemtic Name: N-[(2S)-2-oxidanylbutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Openeye Name: N-[(2S)-2-hydroxybutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide CAS Name: N-[(2S)-2-hydroxybutyl]-1-[1-(3-phenylpropyl)-4-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: N-[(2S)-2-hydroxybutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]piperidine-4-carboxamide Traditional Name: N-[(2S)-2-hydroxybutyl]-1-[1-(3-phenylpropyl)piperidin-1-ium-4-yl]isonipecotamide Formula: C24H40N3O2+ MolecularWeight: 402.5933

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3)O

Isomeric SMILES

CC[C@@H](CNC(=O)C1CCN(CC1)C2CC[NH+](CC2)CCCC3=CC=CC=C3)O

InChI

InChI=1S/C24H39N3O2/c1-2-23(28)19-25-24(29)21-10-17-27(18-11-21)22-12-15-26(16-13-22)14-6-9-20-7-4-3-5-8-20/h3-5,7-8,21-23,28H,2,6,9-19H2,1H3,(H,25,29)/p+1/t23-/m0/s1