N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-oxidanylidene-4-phenyl-butanamide

Systemtic Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-oxidanylidene-4-phenyl-butanamide Openeye Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-oxo-4-phenyl-butanamide CAS Name: N-[(3R)-1-(1-methyl-4-piperidin-1-iumyl)-3-piperidin-1-iumyl]-4-oxo-4-phenylbutanamide IUPAC Name: N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-oxo-4-phenylbutanamide Traditional Name: 4-keto-N-[(3R)-1-(1-methylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]-4-phenyl-butyramide Formula: C21H33N3O2+2 MolecularWeight: 359.50562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O2/c1-23-14-11-19(12-15-23)24-13-5-8-18(16-24)22-21(26)10-9-20(25)17-6-3-2-4-7-17/h2-4,6-7,18-19H,5,8-16H2,1H3,(H,22,26)/p+2/t18-/m1/s1