N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-phenyl-pentanamide

Systemtic Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-phenyl-pentanamide Openeye Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-phenyl-pentanamide CAS Name: N-[(3S)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-5-phenylpentanamide IUPAC Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-phenylpentanamide Traditional Name: N-[(3S)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-5-phenyl-valeramide Formula: C22H37N3O+2 MolecularWeight: 359.54868

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+]2CCCC(C2)NC(=O)CCCCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+]2CCC[C@@H](C2)NC(=O)CCCCC3=CC=CC=C3

InChI

InChI=1S/C22H35N3O/c1-24-16-13-21(14-17-24)25-15-7-11-20(18-25)23-22(26)12-6-5-10-19-8-3-2-4-9-19/h2-4,8-9,20-21H,5-7,10-18H2,1H3,(H,23,26)/p+2/t20-/m0/s1