N-[4-[[(3R)-3-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[(3R)-3-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[(3R)-3-(3-oxo-3-pyrrolidin-1-yl-propyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[(3R)-3-[3-oxo-3-(1-pyrrolidinyl)propyl]-1-piperidin-1-iumyl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[(3R)-3-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[(3R)-3-(3-keto-3-pyrrolidino-propyl)piperidin-1-ium-1-yl]methyl]phenyl]acetamide Formula: C21H32N3O2+ MolecularWeight: 358.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCCC(C2)CCC(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCCC3

InChI

InChI=1S/C21H31N3O2/c1-17(25)22-20-9-6-19(7-10-20)16-23-12-4-5-18(15-23)8-11-21(26)24-13-2-3-14-24/h6-7,9-10,18H,2-5,8,11-16H2,1H3,(H,22,25)/p+1/t18-/m1/s1