1-[4-[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]carbonylphenyl]ethanone

Systemtic Name: 1-[4-[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidin-1-yl]carbonylphenyl]ethanone Openeye Name: 1-[4-[(3R)-3-(1-isobutylpiperidin-1-ium-4-yl)pyrrolidine-1-carbonyl]phenyl]ethanone CAS Name: 1-[4-[[(3R)-3-[1-(2-methylpropyl)-4-piperidin-1-iumyl]-1-pyrrolidinyl]-oxomethyl]phenyl]ethanone IUPAC Name: 1-[4-[(3R)-3-[1-(2-methylpropyl)piperidin-1-ium-4-yl]pyrrolidine-1-carbonyl]phenyl]ethanone Traditional Name: 1-[4-[(3R)-3-(1-isobutylpiperidin-1-ium-4-yl)pyrrolidine-1-carbonyl]phenyl]ethanone Formula: C22H33N2O2+ MolecularWeight: 357.50962

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCC(CC1)C2CCN(C2)C(=O)C3=CC=C(C=C3)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2/c1-16(2)14-23-11-8-19(9-12-23)21-10-13-24(15-21)22(26)20-6-4-18(5-7-20)17(3)25/h4-7,16,19,21H,8-15H2,1-3H3/p+1/t21-/m0/s1